piperidin-4-yl N-(2-chlorophenyl)carbamate

C12H15ClN2O2 — CID 20735403

IUPACpiperidin-4-yl N-(2-chlorophenyl)carbamate
SMILESO=C(Nc1ccccc1Cl)OC1CCNCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-1-2-4-11(10)15-12(16)17-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyXVPKLGSRNOSUQK-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.64
Rot. Bonds2

About piperidin-4-yl N-(2-chlorophenyl)carbamate

piperidin-4-yl N-(2-chlorophenyl)carbamate (PubChem CID 20735403) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is piperidin-4-yl N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-(2-chlorophenyl)carbamate
PubChem CID20735403
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Namepiperidin-4-yl N-(2-chlorophenyl)carbamate
SMILESO=C(Nc1ccccc1Cl)OC1CCNCC1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-1-2-4-11(10)15-12(16)17-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyXVPKLGSRNOSUQK-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63877513
piperidin-4-yl N-(3-chloro-4-methylphenyl)carbamate
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carbonic acid;4-(2-chlorophenoxy)piperidine
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piperidin-4-yl N-[2-[(5-chloro-2-pyridinyl)-(2,2,2-trifluoroacetyl)amino]phenyl]carbamate
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N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
piperidin-4-yl N-[2-(4-fluorophenyl)thiophen-3-yl]carbamate
CID 130196521
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride
CID 28271
[3-(4-tert-butylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-3-en-8-yl] N-(2-chlorophenyl)carbamate
CID 91303631
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
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piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
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piperidin-4-yl N-(4-nitrophenyl)carbamate
CID 79337999

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-(2-chlorophenyl)carbamate?
The IUPAC name of piperidin-4-yl N-(2-chlorophenyl)carbamate (CID 20735403) is piperidin-4-yl N-(2-chlorophenyl)carbamate.
What is the SMILES notation for piperidin-4-yl N-(2-chlorophenyl)carbamate?
The canonical SMILES for piperidin-4-yl N-(2-chlorophenyl)carbamate is O=C(Nc1ccccc1Cl)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-(2-chlorophenyl)carbamate?
The InChIKey is XVPKLGSRNOSUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-3-1-2-4-11(10)15-12(16)17-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,16).
What are the key properties of piperidin-4-yl N-(2-chlorophenyl)carbamate?
piperidin-4-yl N-(2-chlorophenyl)carbamate has a molecular weight of 254.72 g/mol, XLogP of 2.64, 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-(2-chlorophenyl)carbamate is sourced from PubChem (CID 20735403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).