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

C18H23NO — CID 10015917

IUPAC2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H23NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,10,17H,4-5,8-9,11-14H2
InChIKeyVMHYGUFGQCQTQY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.54
Rot. Bonds3

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

2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one (PubChem CID 10015917) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
PubChem CID10015917
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H23NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,10,17H,4-5,8-9,11-14H2
InChIKeyVMHYGUFGQCQTQY-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-1-ylmethyl)cycloheptan-1-one
CID 130548358
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
CID 15101112
1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15294407
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 16606859
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 63007742
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 70272863
1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 54470144
1,1'-biphenyl;2-pentylcyclohexan-1-one
CID 174847446
(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione
CID 9236237

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one (CID 10015917) is 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one is O=C1CCCCC1CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is VMHYGUFGQCQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18-9-5-4-8-17(18)14-19-12-10-16(11-13-19)15-6-2-1-3-7-15/h1-3,6-7,10,17H,4-5,8-9,11-14H2.
What are the key properties of 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one?
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 269.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 10015917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).