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CAS 2244088-27-3 N,N-dimethyl-1-(3-(piperidin-4-yl)phenyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 2244088-27-3

N,N-dimethyl-1-(3-(piperidin-4-yl)phenyl)methanamine hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2244088-27-3
  • Purity/Analytical Methods: >99.0%
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2244088-27-3 / N,N-dimethyl-1-(3-piperidin-4-ylphenyl)methanamine;dihydrochloride

Standard CAS: 2244088-27-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2244088-27-3
Multi CAS
No
Molecular Formula
C14H24Cl2N2
Molecular Weight
291.300000
Exact Mass
290.131654
SMILES
CN(C)CC1=CC(=CC=C1)C2CCNCC2.Cl.Cl
InChI
InChI=1S/C14H22N2.2ClH/c1-16(2)11-12-4-3-5-14(10-12)13-6-8-15-9-7-13;;/h3-5,10,13,15H,6-9,11H2,1-2H3;2*1H
InChIKey
MHJMRUDFIZCETI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.17
TPSA
15.27

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.06
Consensus LogP
2.94
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

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

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