[(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C19H25F3N2O2 — CID 91793666

IUPAC[(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C([C@H]1CCC[C@H](O)C1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)16-6-4-14(5-7-16)13-23-8-10-24(11-9-23)18(26)15-2-1-3-17(25)12-15/h4-7,15,17,25H,1-3,8-13H2/t15-,17-/m0/s1
InChIKeyVCMUYWSNSFQSJP-RDJZCZTQSA-N
MW370.42 g/mol
LogP2.90
Rot. Bonds3

About [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 91793666) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID91793666
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name[(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C([C@H]1CCC[C@H](O)C1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)16-6-4-14(5-7-16)13-23-8-10-24(11-9-23)18(26)15-2-1-3-17(25)12-15/h4-7,15,17,25H,1-3,8-13H2/t15-,17-/m0/s1
InChIKeyVCMUYWSNSFQSJP-RDJZCZTQSA-N
XLogP2.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

cis-N-[2-fluoro-4-(trifluoromethyl)benzyl]-3-hydroxycyclohexanecarboxamide
CID 91760919
trans-N-benzyl-N-(2-cyclohex-1-en-1-ylethyl)-3-hydroxycyclohexanecarboxamide
CID 91763680
(1R,3S)-3-({4-[4-(trifluoromethyl)benzyl]piperazin-1-yl}carbonyl)cyclohexanol
CID 91775741
1-(4-Benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxydecan-1-one
CID 11164961
N-(2-piperidin-1-ylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698280
(8R*,9aS*)-2-[2-fluoro-4-(trifluoromethyl)benzyl]-8-hydroxytetrahydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50984442
3-(Oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 55607296
Cyclohexyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 60343939
[3-(2-Hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 62370925
1-[1-(2,3-Difluoro-4-methylbenzoyl)-4-piperidinyl]-3-phenyl-1-propanol
CID 70763469
(4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl)(4-(trifluoromethyl)phenyl)methanone hydrochloride
CID 71783091
[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 71783092

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 91793666) is [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is O=C([C@H]1CCC[C@H](O)C1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is VCMUYWSNSFQSJP-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c20-19(21,22)16-6-4-14(5-7-16)13-23-8-10-24(11-9-23)18(26)15-2-1-3-17(25)12-15/h4-7,15,17,25H,1-3,8-13H2/t15-,17-/m0/s1.
What are the key properties of [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 370.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-hydroxycyclohexyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 91793666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).