diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol

C22H22N2O — CID 165347320

IUPACdiphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCCN1c1ccncc1
InChIInChI=1S/C22H22N2O/c25-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21-12-7-17-24(21)20-13-15-23-16-14-20/h1-6,8-11,13-16,21,25H,7,12,17H2
InChIKeyIOQIYSVAMLIHAQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.99
Rot. Bonds4

About diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol

diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol (PubChem CID 165347320) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Namediphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
PubChem CID165347320
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Namediphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCCN1c1ccncc1
InChIInChI=1S/C22H22N2O/c25-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21-12-7-17-24(21)20-13-15-23-16-14-20/h1-6,8-11,13-16,21,25H,7,12,17H2
InChIKeyIOQIYSVAMLIHAQ-UHFFFAOYSA-N
XLogP3.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-[fluoro(diphenyl)methyl]pyrrolidin-1-yl]pyridine
CID 102133636
3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
CID 102304812
1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile
CID 71613979
1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 3615185
1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166414441
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
CID 10642322
1-phenyl-2-(trifluoromethyl)piperidine
CID 144718854
3-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-3-oxopropanamide
CID 126842090
diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol
CID 92533340

Frequently Asked Questions

What is the IUPAC name of diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol?
The IUPAC name of diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol (CID 165347320) is diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol is OC(c1ccccc1)(c1ccccc1)C1CCCN1c1ccncc1.
What is the InChIKey of diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol?
The InChIKey is IOQIYSVAMLIHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(18-8-3-1-4-9-18,19-10-5-2-6-11-19)21-12-7-17-24(21)20-13-15-23-16-14-20/h1-6,8-11,13-16,21,25H,7,12,17H2.
What are the key properties of diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol?
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol has a molecular weight of 330.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 165347320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).