1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol

C18H22N2O — CID 70794232

IUPAC1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(N1CCCC1)C(O)(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H22N2O/c1-15(20-13-5-6-14-20)18(21,16-7-3-2-4-8-16)17-9-11-19-12-10-17/h2-4,7-12,15,21H,5-6,13-14H2,1H3
InChIKeyOWNSQSWSKOQCPA-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.80
Rot. Bonds4

About 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol

1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 70794232) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID70794232
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(N1CCCC1)C(O)(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H22N2O/c1-15(20-13-5-6-14-20)18(21,16-7-3-2-4-8-16)17-9-11-19-12-10-17/h2-4,7-12,15,21H,5-6,13-14H2,1H3
InChIKeyOWNSQSWSKOQCPA-UHFFFAOYSA-N
XLogP2.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-yl-1-phenyl-1-pyridin-4-ylpropan-1-ol
CID 70794231
(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 102167719
1,1,3-triphenyl-2-piperidin-1-ylpropan-1-ol
CID 23250666
2-phenyl-5-pyrrolidin-1-ylhex-3-yn-2-ol
CID 21225055
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
1,1-diphenyl-1-pyridin-4-ylpropan-2-one
CID 123238663
2-(4-tert-butylphenyl)-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol
CID 66961853
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol
CID 24781288
1,2-diphenyl-1-pyrrolidin-1-ylpropan-2-amine
CID 43829706
(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 92573539
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol (CID 70794232) is 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol is CC(N1CCCC1)C(O)(c1ccccc1)c1ccncc1.
What is the InChIKey of 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is OWNSQSWSKOQCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15(20-13-5-6-14-20)18(21,16-7-3-2-4-8-16)17-9-11-19-12-10-17/h2-4,7-12,15,21H,5-6,13-14H2,1H3.
What are the key properties of 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol?
1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-pyridin-4-yl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 70794232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).