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CAS 1156818-22-2 2-[4-PIPERAZIN-1-YLPHENOXY]-ETHANOL molecular structure lightbox
CAS RN: 1156818-22-2

2-[4-PIPERAZIN-1-YLPHENOXY]-ETHANOL

  • Product code: SSC-015466
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1156818-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

1156818-22-2 / 2-(4-piperazin-1-ylphenoxy)ethanol

2-[4-PIPERAZIN-1-YLPHENOXY]-ETHANOL | 2-[4-(1-Piperazinyl)phenoxy]ethanol | MFCD12187328

Standard CAS: 1156818-22-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1156818-22-2
Multi CAS
No
Molecular Formula
C12H18N2O2
Molecular Weight
222.280000
Exact Mass
222.136828
SMILES
C1CN(CCN1)C2=CC=C(C=C2)OCCO
InChI
InChI=1S/C12H18N2O2/c15-9-10-16-12-3-1-11(2-4-12)14-7-5-13-6-8-14/h1-4,13,15H,5-10H2
InChIKey
CPOICVAPALTGRB-UHFFFAOYSA-N
Synonyms
2-[4-PIPERAZIN-1-YLPHENOXY]-ETHANOL 2-[4-(1-Piperazinyl)phenoxy]ethanol MFCD12187328 2-(4-(Piperazin-1-yl)phenoxy)ethan-1-ol 2-(4-piperazin-1-ylphenoxy)ethanol

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.11
TPSA
44.73

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.5
Consensus LogP
0.46
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

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