1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine

C32H42FN3O2 — CID 69453403

IUPAC1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCOc1ccccc1N1CCN(CCC(c2ccccc2F)C(NCc2ccco2)C2CCCCC2)CC1
InChIInChI=1S/C32H42FN3O2/c1-37-31-16-8-7-15-30(31)36-21-19-35(20-22-36)18-17-28(27-13-5-6-14-29(27)33)32(25-10-3-2-4-11-25)34-24-26-12-9-23-38-26/h5-9,12-16,23,25,28,32,34H,2-4,10-11,17-22,24H2,1H3
InChIKeyJIYGJGLOTWYAEZ-UHFFFAOYSA-N
MW519.71 g/mol
LogP6.46
Rot. Bonds11

About 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine

1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine (PubChem CID 69453403) has the molecular formula C32H42FN3O2 and a molecular weight of 519.71 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
PubChem CID69453403
Molecular FormulaC32H42FN3O2
Molecular Weight519.71 g/mol
Exact Mass519.33
IUPAC Name1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCOc1ccccc1N1CCN(CCC(c2ccccc2F)C(NCc2ccco2)C2CCCCC2)CC1
InChIInChI=1S/C32H42FN3O2/c1-37-31-16-8-7-15-30(31)36-21-19-35(20-22-36)18-17-28(27-13-5-6-14-29(27)33)32(25-10-3-2-4-11-25)34-24-26-12-9-23-38-26/h5-9,12-16,23,25,28,32,34H,2-4,10-11,17-22,24H2,1H3
InChIKeyJIYGJGLOTWYAEZ-UHFFFAOYSA-N
XLogP6.46
TPSA40.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.71
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-2-(2-fluorophenyl)-N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 24901268
N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 24900672
N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]morpholine-4-carboxamide
CID 24900859
O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl] N-methylcarbamothioate
CID 10029443
1-[(3R)-3-(2-fluorophenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine
CID 93000836
1-(4-cyclohexyl-3-phenyl-4-prop-2-enoxybutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 10457886
1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 10344578
N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 20944467
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
5-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]-2-cyclohexyl-3-(2-fluorophenyl)pentan-1-amine
CID 69457023
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine (CID 69453403) is 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine is COc1ccccc1N1CCN(CCC(c2ccccc2F)C(NCc2ccco2)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The InChIKey is JIYGJGLOTWYAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN3O2/c1-37-31-16-8-7-15-30(31)36-21-19-35(20-22-36)18-17-28(27-13-5-6-14-29(27)33)32(25-10-3-2-4-11-25)34-24-26-12-9-23-38-26/h5-9,12-16,23,25,28,32,34H,2-4,10-11,17-22,24H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine has a molecular weight of 519.71 g/mol, XLogP of 6.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 69453403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).