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CAS 1416450-55-9 (S)-3-(Boc-aMino)piperidine hydrochloride molecular structure lightbox
CAS RN: 1416450-55-9

(S)-3-(Boc-aMino)piperidine hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 1g / 5g / 10g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS1416450-55-9
  • Purity/Analytical Methods: >99.0%
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1416450-55-9 / tert-butyl N-[(3S)-piperidin-3-yl]carbamate;hydrochloride

Standard CAS: 1416450-55-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416450-55-9
Multi CAS
No
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
CC(C)(C)OC(=O)N[C@H]1CCCNC1.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H/t8-;/m0./s1
InChIKey
FQJZJMFUNRMGTA-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.51
TPSA
50.36

LogP / Solubility

WLOGP
1.68
MLOGP
1.49
XLogP3
1.68
Consensus LogP
1.62
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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