N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

C13H17ClN2O2 — CID 54878877

IUPACN-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(CO)CC1
InChIInChI=1S/C13H17ClN2O2/c14-11-1-3-12(4-2-11)15-13(18)16-7-5-10(9-17)6-8-16/h1-4,10,17H,5-9H2,(H,15,18)
InChIKeyWBACUVOSWHRDHQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.58
Rot. Bonds2

About N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 54878877) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID54878877
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(CO)CC1
InChIInChI=1S/C13H17ClN2O2/c14-11-1-3-12(4-2-11)15-13(18)16-7-5-10(9-17)6-8-16/h1-4,10,17H,5-9H2,(H,15,18)
InChIKeyWBACUVOSWHRDHQ-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 54878877) is N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC(CO)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is WBACUVOSWHRDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-1-3-12(4-2-11)15-13(18)16-7-5-10(9-17)6-8-16/h1-4,10,17H,5-9H2,(H,15,18).
What are the key properties of N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 54878877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).