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CAS 19780-85-9 1-(2-Hydroxyethyl)-4-(3-hydroxypropyl)piperidine molecular structure lightbox
CAS RN: 19780-85-9

1-(2-Hydroxyethyl)-4-(3-hydroxypropyl)piperidine

  • Product code: SSC-093245
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19780-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

19780-85-9 / 3-[1-(2-hydroxyethyl)piperidin-4-yl]propan-1-ol

Standard CAS: 19780-85-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19780-85-9
Multi CAS
No
Molecular Formula
C10H21NO2
Molecular Weight
187.280000
Exact Mass
187.157229
SMILES
C1CN(CCC1CCCO)CCO
InChI
InChI=1S/C10H21NO2/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h10,12-13H,1-9H2
InChIKey
QCZXNEGHMZUDNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.57
TPSA
43.7

LogP / Solubility

WLOGP
0.46
MLOGP
0.41
XLogP3
0.4
Consensus LogP
0.42
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.53

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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