2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine

C29H40FNO — CID 18997920

IUPAC2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine
SMILESCOCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(F)cc4)nc3)CC2)CC1
InChIInChI=1S/C29H40FNO/c1-32-20-2-3-22-6-11-25(12-7-22)26-13-8-23(9-14-26)4-5-24-10-19-29(31-21-24)27-15-17-28(30)18-16-27/h10,15-19,21-23,25-26H,2-9,11-14,20H2,1H3
InChIKeyHEVPCCYLTLPPHY-UHFFFAOYSA-N
MW437.64 g/mol
LogP7.86
Rot. Bonds9

About 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine

2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine (PubChem CID 18997920) has the molecular formula C29H40FNO and a molecular weight of 437.64 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine
PubChem CID18997920
Molecular FormulaC29H40FNO
Molecular Weight437.64 g/mol
Exact Mass437.31
IUPAC Name2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine
SMILESCOCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(F)cc4)nc3)CC2)CC1
InChIInChI=1S/C29H40FNO/c1-32-20-2-3-22-6-11-25(12-7-22)26-13-8-23(9-14-26)4-5-24-10-19-29(31-21-24)27-15-17-28(30)18-16-27/h10,15-19,21-23,25-26H,2-9,11-14,20H2,1H3
InChIKeyHEVPCCYLTLPPHY-UHFFFAOYSA-N
XLogP7.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.64
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine (CID 18997920) is 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine is COCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(F)cc4)nc3)CC2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine?
The InChIKey is HEVPCCYLTLPPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FNO/c1-32-20-2-3-22-6-11-25(12-7-22)26-13-8-23(9-14-26)4-5-24-10-19-29(31-21-24)27-15-17-28(30)18-16-27/h10,15-19,21-23,25-26H,2-9,11-14,20H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine?
2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine has a molecular weight of 437.64 g/mol, XLogP of 7.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]ethyl]pyridine is sourced from PubChem (CID 18997920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).