4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid

C15H19NO2 — CID 2823123

IUPAC4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H19NO2/c17-15(18)7-4-10-16-11-8-14(9-12-16)13-5-2-1-3-6-13/h1-3,5-6,8H,4,7,9-12H2,(H,17,18)
InChIKeyOGXJKONEOABCNW-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.64
Rot. Bonds5

About 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid

4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid (PubChem CID 2823123) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
PubChem CID2823123
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C15H19NO2/c17-15(18)7-4-10-16-11-8-14(9-12-16)13-5-2-1-3-6-13/h1-3,5-6,8H,4,7,9-12H2,(H,17,18)
InChIKeyOGXJKONEOABCNW-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The IUPAC name of 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid (CID 2823123) is 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The canonical SMILES for 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid is O=C(O)CCCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The InChIKey is OGXJKONEOABCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)7-4-10-16-11-8-14(9-12-16)13-5-2-1-3-6-13/h1-3,5-6,8H,4,7,9-12H2,(H,17,18).
What are the key properties of 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid is sourced from PubChem (CID 2823123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).