(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine

C20H37F3N2O — CID 170372986

IUPAC(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
SMILESCC(C)OC1CCC(CCCN2CCN(C(C)C)C[C@H]2C(F)(F)F)CC1
InChIInChI=1S/C20H37F3N2O/c1-15(2)25-13-12-24(19(14-25)20(21,22)23)11-5-6-17-7-9-18(10-8-17)26-16(3)4/h15-19H,5-14H2,1-4H3/t17?,18?,19-/m0/s1
InChIKeyRLPSOUIKLBNWQA-ACBHZAAOSA-N
MW378.52 g/mol
LogP4.71
Rot. Bonds7

About (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine

(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine (PubChem CID 170372986) has the molecular formula C20H37F3N2O and a molecular weight of 378.52 g/mol. Its IUPAC name is (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
PubChem CID170372986
Molecular FormulaC20H37F3N2O
Molecular Weight378.52 g/mol
Exact Mass378.29
IUPAC Name(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
SMILESCC(C)OC1CCC(CCCN2CCN(C(C)C)C[C@H]2C(F)(F)F)CC1
InChIInChI=1S/C20H37F3N2O/c1-15(2)25-13-12-24(19(14-25)20(21,22)23)11-5-6-17-7-9-18(10-8-17)26-16(3)4/h15-19H,5-14H2,1-4H3/t17?,18?,19-/m0/s1
InChIKeyRLPSOUIKLBNWQA-ACBHZAAOSA-N
XLogP4.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)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

(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372476
4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine
CID 170569304
(2S)-1-propan-2-yl-4-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170372801
1-[4-(4-methoxycyclohexyl)butyl]-4-methyl-2-(trifluoromethyl)piperazine
CID 175626820
(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
CID 175636165
1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine
CID 170372805
1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
CID 170375311
1-propan-2-yl-3-propan-2-yloxypyrrolidine
CID 66606030
1-methyl-4-[(2R)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 175636197
(1S,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702570
1-propan-2-yl-4-(3-propan-2-yloxycyclobutyl)piperazine
CID 169289968
1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane
CID 170569172

Frequently Asked Questions

What is the IUPAC name of (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine?
The IUPAC name of (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine (CID 170372986) is (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine.
What is the SMILES notation for (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine?
The canonical SMILES for (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine is CC(C)OC1CCC(CCCN2CCN(C(C)C)C[C@H]2C(F)(F)F)CC1.
What is the InChIKey of (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine?
The InChIKey is RLPSOUIKLBNWQA-ACBHZAAOSA-N. The full InChI is InChI=1S/C20H37F3N2O/c1-15(2)25-13-12-24(19(14-25)20(21,22)23)11-5-6-17-7-9-18(10-8-17)26-16(3)4/h15-19H,5-14H2,1-4H3/t17?,18?,19-/m0/s1.
What are the key properties of (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine?
(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine has a molecular weight of 378.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 170372986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).