1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine

C18H22ClN — CID 91365879

IUPAC1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESClc1ccc(C(C2=CCCCC2)N2CC=CCC2)cc1
InChIInChI=1S/C18H22ClN/c19-17-11-9-16(10-12-17)18(15-7-3-1-4-8-15)20-13-5-2-6-14-20/h2,5,7,9-12,18H,1,3-4,6,8,13-14H2
InChIKeyQXNRQQRNUXWXJL-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.14
Rot. Bonds3

About 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine

1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 91365879) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID91365879
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESClc1ccc(C(C2=CCCCC2)N2CC=CCC2)cc1
InChIInChI=1S/C18H22ClN/c19-17-11-9-16(10-12-17)18(15-7-3-1-4-8-15)20-13-5-2-6-14-20/h2,5,7,9-12,18H,1,3-4,6,8,13-14H2
InChIKeyQXNRQQRNUXWXJL-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorophenyl)-6-(cyclohexen-1-yl)hexan-1-ol
CID 53260666
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
4-[cyclohexen-1-yl(phenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium iodide
CID 24842355
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106648872
[2-(4-chlorophenyl)-1-[(1E)-cycloocten-1-yl]ethyl]hydrazine
CID 106648598
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
CID 3065514
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827
1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
CID 170615369
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
(2S)-2-bromo-2-(cyclohexen-1-yl)acetaldehyde
CID 134542892

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine (CID 91365879) is 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine is Clc1ccc(C(C2=CCCCC2)N2CC=CCC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is QXNRQQRNUXWXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c19-17-11-9-16(10-12-17)18(15-7-3-1-4-8-15)20-13-5-2-6-14-20/h2,5,7,9-12,18H,1,3-4,6,8,13-14H2.
What are the key properties of 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine?
1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 287.83 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(cyclohexen-1-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 91365879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).