benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride

C13H17ClF2N2O2 — CID 171991675

IUPACbenzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
SMILESCl.O=C(N[C@@H]1CNCC(F)(F)C1)OCc1ccccc1
InChIInChI=1S/C13H16F2N2O2.ClH/c14-13(15)6-11(7-16-9-13)17-12(18)19-8-10-4-2-1-3-5-10;/h1-5,11,16H,6-9H2,(H,17,18);1H/t11-;/m0./s1
InChIKeyFYMBLLCJUPDXCF-MERQFXBCSA-N
MW306.74 g/mol
LogP2.33
Rot. Bonds3

About benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride

benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride (PubChem CID 171991675) has the molecular formula C13H17ClF2N2O2 and a molecular weight of 306.74 g/mol. Its IUPAC name is benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
PubChem CID171991675
Molecular FormulaC13H17ClF2N2O2
Molecular Weight306.74 g/mol
Exact Mass306.09
IUPAC Namebenzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
SMILESCl.O=C(N[C@@H]1CNCC(F)(F)C1)OCc1ccccc1
InChIInChI=1S/C13H16F2N2O2.ClH/c14-13(15)6-11(7-16-9-13)17-12(18)19-8-10-4-2-1-3-5-10;/h1-5,11,16H,6-9H2,(H,17,18);1H/t11-;/m0./s1
InChIKeyFYMBLLCJUPDXCF-MERQFXBCSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride 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-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 124556141
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(5,5-difluorooxan-3-yl)carbamate;5,5-difluorooxan-3-amine
CID 159212303
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
CID 91757646
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride
CID 154848880
benzyl N-[(1S,2S)-5,5-difluoro-2-hydroxycyclohexyl]carbamate
CID 169260932

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride?
The IUPAC name of benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride (CID 171991675) is benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride is Cl.O=C(N[C@@H]1CNCC(F)(F)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride?
The InChIKey is FYMBLLCJUPDXCF-MERQFXBCSA-N. The full InChI is InChI=1S/C13H16F2N2O2.ClH/c14-13(15)6-11(7-16-9-13)17-12(18)19-8-10-4-2-1-3-5-10;/h1-5,11,16H,6-9H2,(H,17,18);1H/t11-;/m0./s1.
What are the key properties of benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride?
benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride has a molecular weight of 306.74 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride is sourced from PubChem (CID 171991675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).