1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol

C19H24N2O — CID 11970576

IUPAC1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1ccc(C(O)(CCN2CCCC2)c2ccccn2)cc1
InChIInChI=1S/C19H24N2O/c1-16-7-9-17(10-8-16)19(22,18-6-2-3-12-20-18)11-15-21-13-4-5-14-21/h2-3,6-10,12,22H,4-5,11,13-15H2,1H3
InChIKeyLOJXVYLBLFSBBB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.11
Rot. Bonds5

About 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol

1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 11970576) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID11970576
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCc1ccc(C(O)(CCN2CCCC2)c2ccccn2)cc1
InChIInChI=1S/C19H24N2O/c1-16-7-9-17(10-8-16)19(22,18-6-2-3-12-20-18)11-15-21-13-4-5-14-21/h2-3,6-10,12,22H,4-5,11,13-15H2,1H3
InChIKeyLOJXVYLBLFSBBB-UHFFFAOYSA-N
XLogP3.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol (CID 11970576) is 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol is Cc1ccc(C(O)(CCN2CCCC2)c2ccccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is LOJXVYLBLFSBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16-7-9-17(10-8-16)19(22,18-6-2-3-12-20-18)11-15-21-13-4-5-14-21/h2-3,6-10,12,22H,4-5,11,13-15H2,1H3.
What are the key properties of 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol?
1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 11970576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).