(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol

C14H15NO — CID 26792906

IUPAC(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
SMILESOCC[C@@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C14H15NO/c16-11-8-14(12-4-2-1-3-5-12)13-6-9-15-10-7-13/h1-7,9-10,14,16H,8,11H2/t14-/m0/s1
InChIKeyAEZMUUJPIZPVAQ-AWEZNQCLSA-N
MW213.28 g/mol
LogP2.60
Rot. Bonds4

About (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol

(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol (PubChem CID 26792906) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
PubChem CID26792906
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
SMILESOCC[C@@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C14H15NO/c16-11-8-14(12-4-2-1-3-5-12)13-6-9-15-10-7-13/h1-7,9-10,14,16H,8,11H2/t14-/m0/s1
InChIKeyAEZMUUJPIZPVAQ-AWEZNQCLSA-N
XLogP2.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-5-pyridin-4-ylpentan-1-amine
CID 117068143
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
4-(1,2-diphenyl-2-pyridin-4-ylethyl)pyridine
CID 12691374
3-[hydroxy(pyridin-4-yl)methyl]pentane-1,5-diol
CID 71195072
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
trimethyl-(2-phenyl-2-pyridin-4-ylethyl)silane
CID 132534673
4-(5-phenoxy-1-phenylpentyl)pyridine
CID 117067769
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734
4-[bromo(phenyl)methyl]pyridine
CID 43608201
1-phenylpropane-1,3-diol
CID 572059
4-benzhydrylpyridine;ethane
CID 90843990
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol?
The IUPAC name of (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol (CID 26792906) is (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol?
The canonical SMILES for (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol is OCC[C@@H](c1ccccc1)c1ccncc1.
What is the InChIKey of (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol?
The InChIKey is AEZMUUJPIZPVAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO/c16-11-8-14(12-4-2-1-3-5-12)13-6-9-15-10-7-13/h1-7,9-10,14,16H,8,11H2/t14-/m0/s1.
What are the key properties of (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol?
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 26792906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).