piperidin-3-ylmethyl N-phenylcarbamate

C13H18N2O2 — CID 79336996

IUPACpiperidin-3-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1CCCNC1
InChIInChI=1S/C13H18N2O2/c16-13(15-12-6-2-1-3-7-12)17-10-11-5-4-8-14-9-11/h1-3,6-7,11,14H,4-5,8-10H2,(H,15,16)
InChIKeyBQSIUHVVXBZAMS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.23
Rot. Bonds3

About piperidin-3-ylmethyl N-phenylcarbamate

piperidin-3-ylmethyl N-phenylcarbamate (PubChem CID 79336996) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is piperidin-3-ylmethyl N-phenylcarbamate.

Molecular Properties

Compound Namepiperidin-3-ylmethyl N-phenylcarbamate
PubChem CID79336996
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namepiperidin-3-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1CCCNC1
InChIInChI=1S/C13H18N2O2/c16-13(15-12-6-2-1-3-7-12)17-10-11-5-4-8-14-9-11/h1-3,6-7,11,14H,4-5,8-10H2,(H,15,16)
InChIKeyBQSIUHVVXBZAMS-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79344499
piperidin-3-ylmethyl benzoate
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CID 62340568
pyrrolidin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 79338245
N-phenyl-2-(2-piperidin-3-ylethoxy)acetamide
CID 62357691
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
CID 13195045
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
CID 79337024
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
cyclohexylmethanol;cyclohexylmethyl N-phenylcarbamate;methane;methylidene(phenylcarbamoyl)oxidanium
CID 161173437

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethyl N-phenylcarbamate?
The IUPAC name of piperidin-3-ylmethyl N-phenylcarbamate (CID 79336996) is piperidin-3-ylmethyl N-phenylcarbamate.
What is the SMILES notation for piperidin-3-ylmethyl N-phenylcarbamate?
The canonical SMILES for piperidin-3-ylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCC1CCCNC1.
What is the InChIKey of piperidin-3-ylmethyl N-phenylcarbamate?
The InChIKey is BQSIUHVVXBZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(15-12-6-2-1-3-7-12)17-10-11-5-4-8-14-9-11/h1-3,6-7,11,14H,4-5,8-10H2,(H,15,16).
What are the key properties of piperidin-3-ylmethyl N-phenylcarbamate?
piperidin-3-ylmethyl N-phenylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethyl N-phenylcarbamate is sourced from PubChem (CID 79336996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).