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CAS 102308-92-9 dihydrochloride molecular structure lightbox
CAS RN: 102308-92-9

dihydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS102308-92-9
  • Purity/Analytical Methods: >99.0%
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102308-92-9 / N,N-dimethyl-2-piperidin-4-ylethanamine;dihydrochloride

N,N-Dimethyl-2-(piperidin-4-yl)ethanamine dihydrochloride | MFCD07368299 | N,N-Dimethyl-2-(4-piperidinyl)ethanamine dihydrochloride

Standard CAS: 102308-92-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102308-92-9
Multi CAS
Yes
Molecular Formula
C9H22Cl2N2
Molecular Weight
229.190000
Exact Mass
228.116004
SMILES
CN(C)CCC1CCNCC1.Cl.Cl
InChI
InChI=1S/C9H20N2.2ClH/c1-11(2)8-5-9-3-6-10-7-4-9;;/h9-10H,3-8H2,1-2H3;2*1H
InChIKey
YAANHSFIXZSURN-UHFFFAOYSA-N
Synonyms
N,N-Dimethyl-2-(piperidin-4-yl)ethanamine dihydrochloride MFCD07368299 N,N-Dimethyl-2-(4-piperidinyl)ethanamine dihydrochloride 4-Piperidineethanamine, N,N-dimethyl-, hydrochloride (1:2) N,N-dimethyl-2-(4-piperidyl)ethanamine;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.26
TPSA
15.27

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.85

Drug-likeness / Medicinal Chemistry

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

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