1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine

C25H29NO — CID 15185952

IUPAC1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C2=CCCC(CN3CC=C(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C25H29NO/c1-27-25-12-10-22(11-13-25)24-9-5-6-20(18-24)19-26-16-14-23(15-17-26)21-7-3-2-4-8-21/h2-4,7-14,20H,5-6,15-19H2,1H3
InChIKeyJCNGPOQBWNDDLN-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.67
Rot. Bonds5

About 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine

1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 15185952) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID15185952
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C2=CCCC(CN3CC=C(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C25H29NO/c1-27-25-12-10-22(11-13-25)24-9-5-6-20(18-24)19-26-16-14-23(15-17-26)21-7-3-2-4-8-21/h2-4,7-14,20H,5-6,15-19H2,1H3
InChIKeyJCNGPOQBWNDDLN-UHFFFAOYSA-N
XLogP5.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine (CID 15185952) is 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine is COc1ccc(C2=CCCC(CN3CC=C(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is JCNGPOQBWNDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-27-25-12-10-22(11-13-25)24-9-5-6-20(18-24)19-26-16-14-23(15-17-26)21-7-3-2-4-8-21/h2-4,7-14,20H,5-6,15-19H2,1H3.
What are the key properties of 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 359.51 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methoxyphenyl)cyclohex-3-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15185952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).