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CAS 852180-57-5 N-(4-PIPERIDIN-1-YLBENZYL)PROPAN-2-AMINE molecular structure lightbox
CAS RN: 852180-57-5

N-(4-PIPERIDIN-1-YLBENZYL)PROPAN-2-AMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS852180-57-5
  • Purity/Analytical Methods: >99.0%
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852180-57-5 / N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine

Standard CAS: 852180-57-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852180-57-5
Multi CAS
No
Molecular Formula
C15H24N2
Molecular Weight
232.360000
Exact Mass
232.193949
InChI
InChI=1S/C15H24N2/c1-13(2)16-12-14-6-8-15(9-7-14)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKey
NDBGEFCTVZDCHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.48
TPSA
15.27

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.1
Consensus LogP
3.02
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.88

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

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