(2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine

C15H27F3N2 — CID 118872092

IUPAC(2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
SMILESCC(C)[C@H]1CNCCN1CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-11(2)14-9-19-7-8-20(14)10-12-3-5-13(6-4-12)15(16,17)18/h11-14,19H,3-10H2,1-2H3/t12?,13?,14-/m1/s1
InChIKeySYTYLEOODWDIRS-JXQTWKCFSA-N
MW292.39 g/mol
LogP3.28
Rot. Bonds3

About (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine

(2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine (PubChem CID 118872092) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine.

Molecular Properties

Compound Name(2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
PubChem CID118872092
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name(2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
SMILESCC(C)[C@H]1CNCCN1CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2/c1-11(2)14-9-19-7-8-20(14)10-12-3-5-13(6-4-12)15(16,17)18/h11-14,19H,3-10H2,1-2H3/t12?,13?,14-/m1/s1
InChIKeySYTYLEOODWDIRS-JXQTWKCFSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methyl-cyclohexyl)-piperazine hydrochloride
CID 16188159
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
I(2)-Cyclohexyl-4-methyl-1-piperazineethanamine
CID 16789275
1-(4-Methylcyclohexyl)piperazine
CID 796165
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
9,9-Difluoro-1-methyl-1,4-diazaspiro[5.5]undecane;dihydrochloride
CID 177801805
Cambridge id 5462628
CID 3525972
Sdccgsbi-0662976.P001
CID 104744316
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656
2-methyl-N-(2-piperidin-1-ylethyl)cyclohexan-1-amine
CID 60688929
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
2-(4-Fluorocyclohexyl)-5-methylpiperazine
CID 20603163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine?
The IUPAC name of (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine (CID 118872092) is (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine.
What is the SMILES notation for (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine?
The canonical SMILES for (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine is CC(C)[C@H]1CNCCN1CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine?
The InChIKey is SYTYLEOODWDIRS-JXQTWKCFSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-11(2)14-9-19-7-8-20(14)10-12-3-5-13(6-4-12)15(16,17)18/h11-14,19H,3-10H2,1-2H3/t12?,13?,14-/m1/s1.
What are the key properties of (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine?
(2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine has a molecular weight of 292.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine is sourced from PubChem (CID 118872092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).