piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate

C13H17ClN2O2 — CID 79337796

IUPACpiperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC2CCNCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9-2-3-10(8-12(9)14)16-13(17)18-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7H2,1H3,(H,16,17)
InChIKeyAOMJATWTOGDFGN-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.95
Rot. Bonds2

About piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate

piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate (PubChem CID 79337796) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate
PubChem CID79337796
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Namepiperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC2CCNCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9-2-3-10(8-12(9)14)16-13(17)18-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7H2,1H3,(H,16,17)
InChIKeyAOMJATWTOGDFGN-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
piperidin-4-yl N-(2-chlorophenyl)carbamate
CID 20735403
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
piperidin-4-yl N-(4-nitrophenyl)carbamate
CID 79337999
piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337898
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
(6-methylmorpholin-2-yl)methyl N-(3-chloro-4-methylphenyl)carbamate
CID 102635586
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate?
The IUPAC name of piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate (CID 79337796) is piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate.
What is the SMILES notation for piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate?
The canonical SMILES for piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate is Cc1ccc(NC(=O)OC2CCNCC2)cc1Cl.
What is the InChIKey of piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate?
The InChIKey is AOMJATWTOGDFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-2-3-10(8-12(9)14)16-13(17)18-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7H2,1H3,(H,16,17).
What are the key properties of piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate?
piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate has a molecular weight of 268.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate is sourced from PubChem (CID 79337796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).