benzyl N-(piperidin-1-ylmethyl)carbamate

C14H20N2O2 — CID 22375295

IUPACbenzyl N-(piperidin-1-ylmethyl)carbamate
SMILESO=C(NCN1CCCCC1)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-14(15-12-16-9-5-2-6-10-16)18-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)
InChIKeySURLLLKROXEKKY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.36
Rot. Bonds4

About benzyl N-(piperidin-1-ylmethyl)carbamate

benzyl N-(piperidin-1-ylmethyl)carbamate (PubChem CID 22375295) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl N-(piperidin-1-ylmethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(piperidin-1-ylmethyl)carbamate
PubChem CID22375295
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl N-(piperidin-1-ylmethyl)carbamate
SMILESO=C(NCN1CCCCC1)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-14(15-12-16-9-5-2-6-10-16)18-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)
InChIKeySURLLLKROXEKKY-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-(piperidin-1-ylmethyl)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-piperidin-1-ylcarbamate
CID 3770567
benzyl N-[3-(azacyclotridec-1-yl)propyl]-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 11103740
benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate
CID 96553890
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl N-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butyl]carbamate
CID 55822163
benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
CID 96553888
2-[(2R)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 96554064
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425

Frequently Asked Questions

What is the IUPAC name of benzyl N-(piperidin-1-ylmethyl)carbamate?
The IUPAC name of benzyl N-(piperidin-1-ylmethyl)carbamate (CID 22375295) is benzyl N-(piperidin-1-ylmethyl)carbamate.
What is the SMILES notation for benzyl N-(piperidin-1-ylmethyl)carbamate?
The canonical SMILES for benzyl N-(piperidin-1-ylmethyl)carbamate is O=C(NCN1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(piperidin-1-ylmethyl)carbamate?
The InChIKey is SURLLLKROXEKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(15-12-16-9-5-2-6-10-16)18-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17).
What are the key properties of benzyl N-(piperidin-1-ylmethyl)carbamate?
benzyl N-(piperidin-1-ylmethyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(piperidin-1-ylmethyl)carbamate is sourced from PubChem (CID 22375295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).