CAS RN: 1159826-79-5
3-ETHOXYPIPERIDINE HYDROCHLORIDE
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS1159826-79-5
- Purity/Analytical Methods: >99.0%
1159826-79-5 / 3-ethoxypiperidine;hydrochloride
3-Ethoxypiperidine hydrochloride | 3-Ethoxypiperidine HCl | 3-ethoxypiperidine;hydrochloride
Basic Information
CAS
1159826-79-5
Multi CAS
No
Molecular Formula
C7H16ClNO
Molecular Weight
165.660000
Exact Mass
165.092042
SMILES
CCOC1CCCNC1.Cl
InChI
InChI=1S/C7H15NO.ClH/c1-2-9-7-4-3-5-8-6-7;/h7-8H,2-6H2,1H3;1H
InChIKey
DRBWUJQGOGQQQU-UHFFFAOYSA-N
Synonyms
3-Ethoxypiperidine hydrochloride
3-Ethoxypiperidine HCl
3-ethoxypiperidine;hydrochloride
MFCD09475416
Piperidine, 3-ethoxy-, hydrochloride (1:1)
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.77
TPSA
21.26
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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