[email protected]
CAS 1217753-75-7 tert-butyl 2-(aminomethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1217753-75-7

tert-butyl 2-(aminomethyl)piperidine-1-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1217753-75-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1217753-75-7 / tert-butyl (3S)-3-aminopiperidine-1-carboxylate;hydrochloride

Standard CAS: 1217753-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217753-75-7
Multi CAS
No
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](C1)N.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;/h8H,4-7,11H2,1-3H3;1H/t8-;/m0./s1
InChIKey
DUNAVVRRZJQGCZ-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.26
TPSA
55.56

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.77
Consensus LogP
1.7
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.91

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us