1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one

C15H19NO — CID 14330045

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one
SMILESCN1CCC=C(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H19NO/c1-16-11-5-8-14(12-16)15(17)10-9-13-6-3-2-4-7-13/h2-4,6-8H,5,9-12H2,1H3
InChIKeyFCRWFWLQSSBKHV-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.45
Rot. Bonds4

About 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one (PubChem CID 14330045) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one
PubChem CID14330045
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one
SMILESCN1CCC=C(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H19NO/c1-16-11-5-8-14(12-16)15(17)10-9-13-6-3-2-4-7-13/h2-4,6-8H,5,9-12H2,1H3
InChIKeyFCRWFWLQSSBKHV-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-phenylpropanoyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 70414647
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
(NE)-N-[3-phenyl-1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine;hydrochloride
CID 14330056
lanthanum;3-phenylpropanoic acid
CID 174887955
1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
CID 79659303
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
CID 115414666
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
N-[(1-methylpiperidin-4-ylidene)amino]-3-phenylpropanamide
CID 5173273
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one (CID 14330045) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one is CN1CCC=C(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one?
The InChIKey is FCRWFWLQSSBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-16-11-5-8-14(12-16)15(17)10-9-13-6-3-2-4-7-13/h2-4,6-8H,5,9-12H2,1H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one has a molecular weight of 229.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 14330045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).