[1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone

C20H21NO2 — CID 134821127

IUPAC[1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone
SMILESO=C(C1=CCN(Cc2ccccc2)CC1CO)c1ccccc1
InChIInChI=1S/C20H21NO2/c22-15-18-14-21(13-16-7-3-1-4-8-16)12-11-19(18)20(23)17-9-5-2-6-10-17/h1-11,18,22H,12-15H2
InChIKeyFTYZPRKUDCWPBF-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.92
Rot. Bonds5

About [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone

[1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone (PubChem CID 134821127) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone
PubChem CID134821127
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone
SMILESO=C(C1=CCN(Cc2ccccc2)CC1CO)c1ccccc1
InChIInChI=1S/C20H21NO2/c22-15-18-14-21(13-16-7-3-1-4-8-16)12-11-19(18)20(23)17-9-5-2-6-10-17/h1-11,18,22H,12-15H2
InChIKeyFTYZPRKUDCWPBF-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)ethanone
CID 16191336
2-(1-Benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone;hydrate
CID 44358059
3-[Benzyl(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 46232284
(3R,4R)-4-benzoyl-1-benzylpyrrolidine-3-carboxylic acid
CID 1515527
1-(3-{[4-Benzyl-4-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)ethanone
CID 16191416
N,N-diethyl-2-(4-hydroxybutanoyl)benzamide
CID 134878860
N,N-diethyl-2-(4-hydroxypentanoyl)benzamide
CID 134878903
2-(1-Benzyl-piperidin-4-yl)-1-(4-hydroxymethyl-phenyl)-ethanone;0.5hydrate
CID 10019100
4-(4-Fluorobenzoyl)-1-(1-phenyl-2-hydroxyethyl)piperidine
CID 19746036
[4-(4-Fluorophenyl)-3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
CID 20607573
[4-(4-fluorophenyl)-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-phenylmethanone
CID 20607574
4-(4-Benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one
CID 23329056

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone?
The IUPAC name of [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone (CID 134821127) is [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone?
The canonical SMILES for [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone is O=C(C1=CCN(Cc2ccccc2)CC1CO)c1ccccc1.
What is the InChIKey of [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone?
The InChIKey is FTYZPRKUDCWPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-15-18-14-21(13-16-7-3-1-4-8-16)12-11-19(18)20(23)17-9-5-2-6-10-17/h1-11,18,22H,12-15H2.
What are the key properties of [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone?
[1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone has a molecular weight of 307.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-phenylmethanone is sourced from PubChem (CID 134821127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).