1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol

C29H38F3NO2 — CID 143089607

IUPAC1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCCCc1ccc(C2(O)CCC(CN3CCCC(COc4ccc(C(F)(F)F)cc4)C3)CC2)cc1
InChIInChI=1S/C29H38F3NO2/c1-2-4-22-6-8-25(9-7-22)28(34)16-14-23(15-17-28)19-33-18-3-5-24(20-33)21-35-27-12-10-26(11-13-27)29(30,31)32/h6-13,23-24,34H,2-5,14-21H2,1H3
InChIKeyQETUHJNNLXDPQM-UHFFFAOYSA-N
MW489.62 g/mol
LogP6.83
Rot. Bonds8

About 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol

1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 143089607) has the molecular formula C29H38F3NO2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID143089607
Molecular FormulaC29H38F3NO2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCCCc1ccc(C2(O)CCC(CN3CCCC(COc4ccc(C(F)(F)F)cc4)C3)CC2)cc1
InChIInChI=1S/C29H38F3NO2/c1-2-4-22-6-8-25(9-7-22)28(34)16-14-23(15-17-28)19-33-18-3-5-24(20-33)21-35-27-12-10-26(11-13-27)29(30,31)32/h6-13,23-24,34H,2-5,14-21H2,1H3
InChIKeyQETUHJNNLXDPQM-UHFFFAOYSA-N
XLogP6.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
acetylene;(3S)-1-[2-[1-(2-methoxyphenyl)cyclobutyl]ethyl]-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 143089642
4-[[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methoxy]benzoic acid
CID 22116078
2-chloro-1-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 162679473
1-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]-2-[(3S)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanol
CID 89021148
2-(4-chlorophenyl)-1-[(3S)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 58737477
1-[4-(cyclopropylmethoxy)phenyl]cyclopropan-1-ol
CID 117292728
[4-(4-chlorophenyl)oxan-4-yl]-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone;ethane
CID 143089641
(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-[(3S)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 58737453
2,3-dihydro-1,4-benzodioxine;(3S)-1-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidine;trifluoromethylbenzene
CID 142125090

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol (CID 143089607) is 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol is CCCc1ccc(C2(O)CCC(CN3CCCC(COc4ccc(C(F)(F)F)cc4)C3)CC2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is QETUHJNNLXDPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F3NO2/c1-2-4-22-6-8-25(9-7-22)28(34)16-14-23(15-17-28)19-33-18-3-5-24(20-33)21-35-27-12-10-26(11-13-27)29(30,31)32/h6-13,23-24,34H,2-5,14-21H2,1H3.
What are the key properties of 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol?
1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 489.62 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-4-[[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 143089607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).