1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine

C24H29NO — CID 14762887

IUPAC1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2(c3cccc(OCc4ccccc4)c3)CCCCC2)CC1
InChIInChI=1S/C24H29NO/c1-4-11-21(12-5-1)20-26-23-14-10-13-22(19-23)24(15-6-2-7-16-24)25-17-8-3-9-18-25/h1,3-5,8,10-14,19H,2,6-7,9,15-18,20H2
InChIKeyPRAIJMWHKOVTIE-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.69
Rot. Bonds5

About 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine

1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine (PubChem CID 14762887) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
PubChem CID14762887
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2(c3cccc(OCc4ccccc4)c3)CCCCC2)CC1
InChIInChI=1S/C24H29NO/c1-4-11-21(12-5-1)20-26-23-14-10-13-22(19-23)24(15-6-2-7-16-24)25-17-8-3-9-18-25/h1,3-5,8,10-14,19H,2,6-7,9,15-18,20H2
InChIKeyPRAIJMWHKOVTIE-UHFFFAOYSA-N
XLogP5.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine (CID 14762887) is 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine is C1=CCN(C2(c3cccc(OCc4ccccc4)c3)CCCCC2)CC1.
What is the InChIKey of 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine?
The InChIKey is PRAIJMWHKOVTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-4-11-21(12-5-1)20-26-23-14-10-13-22(19-23)24(15-6-2-7-16-24)25-17-8-3-9-18-25/h1,3-5,8,10-14,19H,2,6-7,9,15-18,20H2.
What are the key properties of 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine?
1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine has a molecular weight of 347.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylmethoxyphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14762887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).