benzyl N-piperidin-1-ylcarbamate

C13H18N2O2 — CID 3770567

IUPACbenzyl N-piperidin-1-ylcarbamate
SMILESO=C(NN1CCCCC1)OCc1ccccc1
InChIInChI=1S/C13H18N2O2/c16-13(14-15-9-5-2-6-10-15)17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16)
InChIKeyRARCRVJUYCOHBA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.31
Rot. Bonds3

About benzyl N-piperidin-1-ylcarbamate

benzyl N-piperidin-1-ylcarbamate (PubChem CID 3770567) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is benzyl N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-piperidin-1-ylcarbamate
PubChem CID3770567
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namebenzyl N-piperidin-1-ylcarbamate
SMILESO=C(NN1CCCCC1)OCc1ccccc1
InChIInChI=1S/C13H18N2O2/c16-13(14-15-9-5-2-6-10-15)17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16)
InChIKeyRARCRVJUYCOHBA-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
CID 70001359
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 91667012
benzyl piperidine-1-carboxylate
CID 158057698
(2S)-2-amino-4-phenyl-N-piperidin-1-ylbutanamide
CID 104984736
benzyl N-[4-[(4-oxocyclohexyl)methyl]piperazin-1-yl]carbamate
CID 178015531
(3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-piperidin-1-ylbutanoic acid
CID 70003305
aminomethyl N-piperidin-1-ylcarbamate
CID 154351217
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
benzyl N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)carbamate
CID 22592468
(2S)-2-(phenylmethoxycarbonylamino)-4-piperidin-1-ylpentanedioic acid
CID 91024830

Frequently Asked Questions

What is the IUPAC name of benzyl N-piperidin-1-ylcarbamate?
The IUPAC name of benzyl N-piperidin-1-ylcarbamate (CID 3770567) is benzyl N-piperidin-1-ylcarbamate.
What is the SMILES notation for benzyl N-piperidin-1-ylcarbamate?
The canonical SMILES for benzyl N-piperidin-1-ylcarbamate is O=C(NN1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-piperidin-1-ylcarbamate?
The InChIKey is RARCRVJUYCOHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(14-15-9-5-2-6-10-15)17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16).
What are the key properties of benzyl N-piperidin-1-ylcarbamate?
benzyl N-piperidin-1-ylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-piperidin-1-ylcarbamate is sourced from PubChem (CID 3770567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).