(2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine

C17H31F3N2O — CID 175626780

IUPAC(2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine
SMILESCOC1CCC(CCCCN2CCN(C)[C@@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C17H31F3N2O/c1-21-11-12-22(13-16(21)17(18,19)20)10-4-3-5-14-6-8-15(23-2)9-7-14/h14-16H,3-13H2,1-2H3/t14?,15?,16-/m1/s1
InChIKeyUJSLZUWDNUPRFM-UYSNPLJNSA-N
MW336.44 g/mol
LogP3.54
Rot. Bonds6

About (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine

(2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine (PubChem CID 175626780) has the molecular formula C17H31F3N2O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name(2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine
PubChem CID175626780
Molecular FormulaC17H31F3N2O
Molecular Weight336.44 g/mol
Exact Mass336.24
IUPAC Name(2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine
SMILESCOC1CCC(CCCCN2CCN(C)[C@@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C17H31F3N2O/c1-21-11-12-22(13-16(21)17(18,19)20)10-4-3-5-14-6-8-15(23-2)9-7-14/h14-16H,3-13H2,1-2H3/t14?,15?,16-/m1/s1
InChIKeyUJSLZUWDNUPRFM-UYSNPLJNSA-N
XLogP3.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine?
The IUPAC name of (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine (CID 175626780) is (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine is COC1CCC(CCCCN2CCN(C)[C@@H](C(F)(F)F)C2)CC1.
What is the InChIKey of (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine?
The InChIKey is UJSLZUWDNUPRFM-UYSNPLJNSA-N. The full InChI is InChI=1S/C17H31F3N2O/c1-21-11-12-22(13-16(21)17(18,19)20)10-4-3-5-14-6-8-15(23-2)9-7-14/h14-16H,3-13H2,1-2H3/t14?,15?,16-/m1/s1.
What are the key properties of (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine?
(2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine has a molecular weight of 336.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(4-methoxycyclohexyl)butyl]-1-methyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 175626780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).