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

C25H29N — CID 15294407

IUPAC1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCc1ccccc1C1=C[C@H](CN2CC=C(c3ccccc3)CC2)CCC1
InChIInChI=1S/C25H29N/c1-20-8-5-6-13-25(20)24-12-7-9-21(18-24)19-26-16-14-23(15-17-26)22-10-3-2-4-11-22/h2-6,8,10-11,13-14,18,21H,7,9,12,15-17,19H2,1H3/t21-/m1/s1
InChIKeyJJRSWGZLZZBYQG-OAQYLSRUSA-N
MW343.51 g/mol
LogP5.97
Rot. Bonds4

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

1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 15294407) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID15294407
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCc1ccccc1C1=C[C@H](CN2CC=C(c3ccccc3)CC2)CCC1
InChIInChI=1S/C25H29N/c1-20-8-5-6-13-25(20)24-12-7-9-21(18-24)19-26-16-14-23(15-17-26)22-10-3-2-4-11-22/h2-6,8,10-11,13-14,18,21H,7,9,12,15-17,19H2,1H3/t21-/m1/s1
InChIKeyJJRSWGZLZZBYQG-OAQYLSRUSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine (CID 15294407) is 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine is Cc1ccccc1C1=C[C@H](CN2CC=C(c3ccccc3)CC2)CCC1.
What is the InChIKey of 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is JJRSWGZLZZBYQG-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H29N/c1-20-8-5-6-13-25(20)24-12-7-9-21(18-24)19-26-16-14-23(15-17-26)22-10-3-2-4-11-22/h2-6,8,10-11,13-14,18,21H,7,9,12,15-17,19H2,1H3/t21-/m1/s1.
What are the key properties of 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine?
1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 343.51 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15294407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).