[1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol

C20H23NO2 — CID 175425747

IUPAC[1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
SMILESCOc1ccc(C2C(CO)CC=CN2Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-23-19-11-9-17(10-12-19)20-18(15-22)8-5-13-21(20)14-16-6-3-2-4-7-16/h2-7,9-13,18,20,22H,8,14-15H2,1H3
InChIKeyPZHOTSQTYKAVCG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.76
Rot. Bonds5

About [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol

[1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol (PubChem CID 175425747) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
PubChem CID175425747
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
SMILESCOc1ccc(C2C(CO)CC=CN2Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-23-19-11-9-17(10-12-19)20-18(15-22)8-5-13-21(20)14-16-6-3-2-4-7-16/h2-7,9-13,18,20,22H,8,14-15H2,1H3
InChIKeyPZHOTSQTYKAVCG-UHFFFAOYSA-N
XLogP3.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 168870314
[1-benzyl-2-(4-methoxyphenyl)piperidin-4-yl]methanol
CID 154394421
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
ethyl (2S,3R)-1-benzyl-3-(4-methoxyphenyl)aziridine-2-carboxylate
CID 101067614
5-benzyl-4-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121205281
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
dimethyl (6R,12S)-3,9-dibenzyl-1,7-bis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-3,9-diazatricyclo[6.4.0.02,7]dodeca-4,10-diene-5,11-dicarboxylate
CID 10876346
3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 141031782
(1R,2R,3S,4R,5R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 11734590
(5S,6S)-5-(hydroxymethyl)-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95240640
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol?
The IUPAC name of [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol (CID 175425747) is [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol?
The canonical SMILES for [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol is COc1ccc(C2C(CO)CC=CN2Cc2ccccc2)cc1.
What is the InChIKey of [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol?
The InChIKey is PZHOTSQTYKAVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-19-11-9-17(10-12-19)20-18(15-22)8-5-13-21(20)14-16-6-3-2-4-7-16/h2-7,9-13,18,20,22H,8,14-15H2,1H3.
What are the key properties of [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol?
[1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol has a molecular weight of 309.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol is sourced from PubChem (CID 175425747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).