[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C20H24N2O2 — CID 111122402

IUPAC[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(NCc2ccccc2)c1)N1CCCC(CO)C1
InChIInChI=1S/C20H24N2O2/c23-15-17-8-5-11-22(14-17)20(24)18-9-4-10-19(12-18)21-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17,21,23H,5,8,11,13-15H2
InChIKeyGWNMLJVSAWVLEL-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.14
Rot. Bonds5

About [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 111122402) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID111122402
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(NCc2ccccc2)c1)N1CCCC(CO)C1
InChIInChI=1S/C20H24N2O2/c23-15-17-8-5-11-22(14-17)20(24)18-9-4-10-19(12-18)21-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17,21,23H,5,8,11,13-15H2
InChIKeyGWNMLJVSAWVLEL-UHFFFAOYSA-N
XLogP3.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
[3-(hydroxymethyl)piperidin-1-yl]-[3-(2-propan-2-yloxyethylamino)phenyl]methanone
CID 111777991
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757
[3-[(3-fluorophenyl)methylamino]phenyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 95175600
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
4-bromo-N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 112771542
(3-hydroxypiperidin-1-yl)-[3-(thiophen-3-ylmethylamino)phenyl]methanone
CID 71968026
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
CID 166614914
[3-(hydroxymethyl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 3282129
(3-hydroxypiperidin-1-yl)-[3-(1,2-thiazol-4-ylmethylamino)phenyl]methanone
CID 146104522
(1S)-N-[3-[(3R)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 97260282
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887

Frequently Asked Questions

What is the IUPAC name of [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 111122402) is [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cccc(NCc2ccccc2)c1)N1CCCC(CO)C1.
What is the InChIKey of [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is GWNMLJVSAWVLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-15-17-8-5-11-22(14-17)20(24)18-9-4-10-19(12-18)21-13-16-6-2-1-3-7-16/h1-4,6-7,9-10,12,17,21,23H,5,8,11,13-15H2.
What are the key properties of [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylamino)phenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 111122402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).