CAS RN: 1185308-02-4

4′-Methyl-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-ylaMine hydrochloride, 98+% C11H18ClN3, MW: 227.73

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Batchno.20260505 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1185308-02-4
  • Purity/Analytical Methods: >99.0%
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1185308-02-4 / 1-(4-methyl-2-pyridinyl)piperidin-4-amine;hydrochloride

1-(4-Methylpyridin-2-yl)piperidin-4-amine hydrochloride | 4'-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylamine hydrochloride | 1-(4-methylpyridin-2-yl)piperidin-4-amine;hydrochloride

Standard CAS: 1185308-02-4 Multi CAS: Yes

Basic Information

CAS
1185308-02-4
Multi CAS
Yes
Molecular Formula
C11H18ClN3
Molecular Weight
227.730000
Exact Mass
227.118925
SMILES
CC1=CC(=NC=C1)N2CCC(CC2)N.Cl
InChI
InChI=1S/C11H17N3.ClH/c1-9-2-5-13-11(8-9)14-6-3-10(12)4-7-14;/h2,5,8,10H,3-4,6-7,12H2,1H3;1H
InChIKey
VFAGXGXNKAZICC-UHFFFAOYSA-N
Synonyms
1-(4-Methylpyridin-2-yl)piperidin-4-amine hydrochloride 4'-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylamine hydrochloride 1-(4-methylpyridin-2-yl)piperidin-4-amine;hydrochloride DTXSID70671463 SBB074826

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.64
TPSA
42.15

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.74
Consensus LogP
1.67
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.87

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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