1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol

C28H35F3N2O2 — CID 54458530

IUPAC1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol
SMILESCOc1ccc(C(=CCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C2(O)CCCCC2)cc1
InChIInChI=1S/C28H35F3N2O2/c1-35-25-11-7-23(8-12-25)26(27(34)14-3-2-4-15-27)13-16-32-17-19-33(20-18-32)21-22-5-9-24(10-6-22)28(29,30)31/h5-13,34H,2-4,14-21H2,1H3
InChIKeyWZXWBWGVBFUTJN-UHFFFAOYSA-N
MW488.59 g/mol
LogP5.61
Rot. Bonds7

About 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol

1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol (PubChem CID 54458530) has the molecular formula C28H35F3N2O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol
PubChem CID54458530
Molecular FormulaC28H35F3N2O2
Molecular Weight488.59 g/mol
Exact Mass488.27
IUPAC Name1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol
SMILESCOc1ccc(C(=CCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C2(O)CCCCC2)cc1
InChIInChI=1S/C28H35F3N2O2/c1-35-25-11-7-23(8-12-25)26(27(34)14-3-2-4-15-27)13-16-32-17-19-33(20-18-32)21-22-5-9-24(10-6-22)28(29,30)31/h5-13,34H,2-4,14-21H2,1H3
InChIKeyWZXWBWGVBFUTJN-UHFFFAOYSA-N
XLogP5.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
CID 14209157
1-[3-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol;dihydrochloride
CID 70418314
1-[(Z)-3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methoxyphenyl)prop-1-enyl]cyclohexan-1-ol
CID 70419015
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 24556314
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepane
CID 51075596
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632227
1-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 30954023
N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018
1-[(2-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1351397
methyl 4-[8-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-5-yl]benzoate
CID 156773838

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol (CID 54458530) is 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol is COc1ccc(C(=CCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol?
The InChIKey is WZXWBWGVBFUTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N2O2/c1-35-25-11-7-23(8-12-25)26(27(34)14-3-2-4-15-27)13-16-32-17-19-33(20-18-32)21-22-5-9-24(10-6-22)28(29,30)31/h5-13,34H,2-4,14-21H2,1H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol?
1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol has a molecular weight of 488.59 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 54458530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).