(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C20H23NO2 — CID 110878417

IUPAC(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C20H23NO2/c22-15-17-9-6-12-21(14-17)20(23)19-11-5-4-10-18(19)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,22H,6,9,12-15H2
InChIKeyIFUFQTDSXJDIFT-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.12
Rot. Bonds4

About (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110878417) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110878417
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cc1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C20H23NO2/c22-15-17-9-6-12-21(14-17)20(23)19-11-5-4-10-18(19)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,22H,6,9,12-15H2
InChIKeyIFUFQTDSXJDIFT-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637270
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
[3-(hydroxymethyl)piperidin-1-yl]-[2-[(2-methylphenyl)methoxy]phenyl]methanone
CID 110886796
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110878417) is (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccccc1Cc1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is IFUFQTDSXJDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-15-17-9-6-12-21(14-17)20(23)19-11-5-4-10-18(19)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,22H,6,9,12-15H2.
What are the key properties of (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110878417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).