4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one

C19H25NO — CID 15101112

IUPAC4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCN2CC=C(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H25NO/c21-19-8-6-16(7-9-19)10-13-20-14-11-18(12-15-20)17-4-2-1-3-5-17/h1-5,11,16H,6-10,12-15H2
InChIKeyWLGDVBAPTBRTRA-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.93
Rot. Bonds4

About 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one

4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one (PubChem CID 15101112) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
PubChem CID15101112
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
SMILESO=C1CCC(CCN2CC=C(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H25NO/c21-19-8-6-16(7-9-19)10-13-20-14-11-18(12-15-20)17-4-2-1-3-5-17/h1-5,11,16H,6-10,12-15H2
InChIKeyWLGDVBAPTBRTRA-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
1-[4-[2-[4-(3-aminophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidin-1-yl]propan-2-one
CID 89313324
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
CID 10015917
4-[2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
CID 68812522
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-4H-phthalazin-1-one
CID 77232236
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 16606859
1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione
CID 9236250
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
4-(2,3-dichlorophenyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 141198643

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one (CID 15101112) is 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one is O=C1CCC(CCN2CC=C(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one?
The InChIKey is WLGDVBAPTBRTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-19-8-6-16(7-9-19)10-13-20-14-11-18(12-15-20)17-4-2-1-3-5-17/h1-5,11,16H,6-10,12-15H2.
What are the key properties of 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one?
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one has a molecular weight of 283.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one is sourced from PubChem (CID 15101112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).