3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol

C14H17NO — CID 173463409

IUPAC3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol
SMILESOCCCC1=CC(c2ccccc2)=CCN1
InChIInChI=1S/C14H17NO/c16-10-4-7-14-11-13(8-9-15-14)12-5-2-1-3-6-12/h1-3,5-6,8,11,15-16H,4,7,9-10H2
InChIKeySMXHJEOOASYLQQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.33
Rot. Bonds4

About 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol

3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol (PubChem CID 173463409) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol
PubChem CID173463409
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol
SMILESOCCCC1=CC(c2ccccc2)=CCN1
InChIInChI=1S/C14H17NO/c16-10-4-7-14-11-13(8-9-15-14)12-5-2-1-3-6-12/h1-3,5-6,8,11,15-16H,4,7,9-10H2
InChIKeySMXHJEOOASYLQQ-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol?
The IUPAC name of 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol (CID 173463409) is 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol?
The canonical SMILES for 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol is OCCCC1=CC(c2ccccc2)=CCN1.
What is the InChIKey of 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol?
The InChIKey is SMXHJEOOASYLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-10-4-7-14-11-13(8-9-15-14)12-5-2-1-3-6-12/h1-3,5-6,8,11,15-16H,4,7,9-10H2.
What are the key properties of 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol?
3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol has a molecular weight of 215.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol is sourced from PubChem (CID 173463409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).