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CAS 1307634-07-6 N-(2-(Piperazin-1-yl)ethyl)propan-2-amine molecular structure lightbox
CAS RN: 1307634-07-6

N-(2-(Piperazin-1-yl)ethyl)propan-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LINN913792
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1307634-07-6 / N-(2-piperazin-1-ylethyl)propan-2-amine

Standard CAS: 1307634-07-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1307634-07-6
Multi CAS
No
Molecular Formula
C9H21N3
Molecular Weight
171.280000
Exact Mass
171.173548
SMILES
CC(C)NCCN1CCNCC1
InChI
InChI=1S/C9H21N3/c1-9(2)11-5-8-12-6-3-10-4-7-12/h9-11H,3-8H2,1-2H3
InChIKey
ANQQOKIDSNGXBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.45
TPSA
27.3

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.1
Consensus LogP
-0.07
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
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)
-3.84

Drug-likeness / Medicinal Chemistry

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

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