benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate

C13H19N3O2 — CID 118048951

IUPACbenzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
SMILESN[C@H]1CNCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-11-8-15-7-6-12(11)16-13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2,(H,16,17)/t11-,12+/m0/s1
InChIKeyUFSGHDDAKHRSBK-NWDGAFQWSA-N
MW249.31 g/mol
LogP0.60
Rot. Bonds3

About benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate

benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate (PubChem CID 118048951) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
PubChem CID118048951
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namebenzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
SMILESN[C@H]1CNCC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19N3O2/c14-11-8-15-7-6-12(11)16-13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2,(H,16,17)/t11-,12+/m0/s1
InChIKeyUFSGHDDAKHRSBK-NWDGAFQWSA-N
XLogP0.60
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
CID 174789732
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[2-(azetidin-3-yl)cyclobutyl]carbamate
CID 165350458
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
CID 91757646
benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate
CID 70324406
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate (CID 118048951) is benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate is N[C@H]1CNCC[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate?
The InChIKey is UFSGHDDAKHRSBK-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11-8-15-7-6-12(11)16-13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,14H2,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate?
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate is sourced from PubChem (CID 118048951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).