[(3S)-5-benzylpiperidin-3-yl] carbamate

C13H18N2O2 — CID 69406960

IUPAC[(3S)-5-benzylpiperidin-3-yl] carbamate
SMILESNC(=O)O[C@@H]1CNCC(Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-13(16)17-12-7-11(8-15-9-12)6-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H2,14,16)/t11?,12-/m0/s1
InChIKeyBUSGFCMAQCNRSL-KIYNQFGBSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds3

About [(3S)-5-benzylpiperidin-3-yl] carbamate

[(3S)-5-benzylpiperidin-3-yl] carbamate (PubChem CID 69406960) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(3S)-5-benzylpiperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-5-benzylpiperidin-3-yl] carbamate
PubChem CID69406960
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(3S)-5-benzylpiperidin-3-yl] carbamate
SMILESNC(=O)O[C@@H]1CNCC(Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-13(16)17-12-7-11(8-15-9-12)6-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H2,14,16)/t11?,12-/m0/s1
InChIKeyBUSGFCMAQCNRSL-KIYNQFGBSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5-benzylpiperidin-3-yl] carbamate?
The IUPAC name of [(3S)-5-benzylpiperidin-3-yl] carbamate (CID 69406960) is [(3S)-5-benzylpiperidin-3-yl] carbamate.
What is the SMILES notation for [(3S)-5-benzylpiperidin-3-yl] carbamate?
The canonical SMILES for [(3S)-5-benzylpiperidin-3-yl] carbamate is NC(=O)O[C@@H]1CNCC(Cc2ccccc2)C1.
What is the InChIKey of [(3S)-5-benzylpiperidin-3-yl] carbamate?
The InChIKey is BUSGFCMAQCNRSL-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(16)17-12-7-11(8-15-9-12)6-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H2,14,16)/t11?,12-/m0/s1.
What are the key properties of [(3S)-5-benzylpiperidin-3-yl] carbamate?
[(3S)-5-benzylpiperidin-3-yl] carbamate has a molecular weight of 234.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-benzylpiperidin-3-yl] carbamate is sourced from PubChem (CID 69406960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).