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CAS 2243501-55-3 2-[(3R)-3-aminopiperidin-1-yl]ethan-1-ol dihydrochloride molecular structure lightbox
CAS RN: 2243501-55-3

2-[(3R)-3-aminopiperidin-1-yl]ethan-1-ol dihydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2243501-55-3
  • Purity/Analytical Methods: >99.0%
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2243501-55-3 / 2-[(3R)-3-aminopiperidin-1-yl]ethanol;hydrochloride

Standard CAS: 2243501-55-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2243501-55-3
Multi CAS
No
Molecular Formula
C7H17ClN2O
Molecular Weight
180.670000
Exact Mass
180.102941
SMILES
C1C[C@H](CN(C1)CCO)N.Cl
InChI
InChI=1S/C7H16N2O.2ClH/c8-7-2-1-3-9(6-7)4-5-10;;/h7,10H,1-6,8H2;2*1H/t7-;;/m1../s1
InChIKey
NCUJDFBOIOBLDV-XCUBXKJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.98
TPSA
49.49

LogP / Solubility

WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.18
Consensus LogP
-0.17
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.95

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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