4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol

C29H35FN2O2 — CID 69134846

IUPAC4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol
SMILESCN1CCN(CC2CC(OCc3ccc(F)cc3)CCC2(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C29H35FN2O2/c1-31-14-16-32(17-15-31)20-26-19-28(34-21-22-6-10-27(30)11-7-22)12-13-29(26,33)25-9-8-23-4-2-3-5-24(23)18-25/h2-11,18,26,28,33H,12-17,19-21H2,1H3
InChIKeyKZDBYAUFCLEQFZ-UHFFFAOYSA-N
MW462.61 g/mol
LogP4.80
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol

4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 69134846) has the molecular formula C29H35FN2O2 and a molecular weight of 462.61 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol
PubChem CID69134846
Molecular FormulaC29H35FN2O2
Molecular Weight462.61 g/mol
Exact Mass462.27
IUPAC Name4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol
SMILESCN1CCN(CC2CC(OCc3ccc(F)cc3)CCC2(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C29H35FN2O2/c1-31-14-16-32(17-15-31)20-26-19-28(34-21-22-6-10-27(30)11-7-22)12-13-29(26,33)25-9-8-23-4-2-3-5-24(23)18-25/h2-11,18,26,28,33H,12-17,19-21H2,1H3
InChIKeyKZDBYAUFCLEQFZ-UHFFFAOYSA-N
XLogP4.80
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol (CID 69134846) is 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol is CN1CCN(CC2CC(OCc3ccc(F)cc3)CCC2(O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is KZDBYAUFCLEQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN2O2/c1-31-14-16-32(17-15-31)20-26-19-28(34-21-22-6-10-27(30)11-7-22)12-13-29(26,33)25-9-8-23-4-2-3-5-24(23)18-25/h2-11,18,26,28,33H,12-17,19-21H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol?
4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 462.61 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 69134846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).