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

C19H22N2O2 — CID 111486727

IUPAC4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(CO)CC1
InChIInChI=1S/C19H22N2O2/c22-14-15-10-12-21(13-11-15)19(23)20-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,15,22H,10-14H2,(H,20,23)
InChIKeyLALVTMSHAWICAD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.59
Rot. Bonds3

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

4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 111486727) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID111486727
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(CO)CC1
InChIInChI=1S/C19H22N2O2/c22-14-15-10-12-21(13-11-15)19(23)20-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,15,22H,10-14H2,(H,20,23)
InChIKeyLALVTMSHAWICAD-UHFFFAOYSA-N
XLogP3.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide (CID 111486727) is 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is LALVTMSHAWICAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-14-15-10-12-21(13-11-15)19(23)20-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,15,22H,10-14H2,(H,20,23).
What are the key properties of 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 111486727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).