1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine

C14H25F3N2O — CID 142952221

IUPAC1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine
SMILESFC(F)(F)CCCOC1CCC(N2CCNCC2)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)6-1-11-20-13-4-2-12(3-5-13)19-9-7-18-8-10-19/h12-13,18H,1-11H2
InChIKeyAXRVADBZXIHMAN-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds5

About 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine

1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine (PubChem CID 142952221) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine
PubChem CID142952221
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine
SMILESFC(F)(F)CCCOC1CCC(N2CCNCC2)CC1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)6-1-11-20-13-4-2-12(3-5-13)19-9-7-18-8-10-19/h12-13,18H,1-11H2
InChIKeyAXRVADBZXIHMAN-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine?
The IUPAC name of 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine (CID 142952221) is 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine.
What is the SMILES notation for 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine?
The canonical SMILES for 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine is FC(F)(F)CCCOC1CCC(N2CCNCC2)CC1.
What is the InChIKey of 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine?
The InChIKey is AXRVADBZXIHMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)6-1-11-20-13-4-2-12(3-5-13)19-9-7-18-8-10-19/h12-13,18H,1-11H2.
What are the key properties of 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine?
1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine has a molecular weight of 294.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4,4-trifluorobutoxy)cyclohexyl]piperazine is sourced from PubChem (CID 142952221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).