1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine

C17H23F3N2 — CID 58366312

IUPAC1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
SMILESCc1cc(N2CCN(C3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2/c1-13-10-14(17(18,19)20)12-16(11-13)22-8-6-21(7-9-22)15-4-2-3-5-15/h10-12,15H,2-9H2,1H3
InChIKeyAUYVPRDXXZYVRY-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.08
Rot. Bonds2

About 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine

1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine (PubChem CID 58366312) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
PubChem CID58366312
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
SMILESCc1cc(N2CCN(C3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2/c1-13-10-14(17(18,19)20)12-16(11-13)22-8-6-21(7-9-22)15-4-2-3-5-15/h10-12,15H,2-9H2,1H3
InChIKeyAUYVPRDXXZYVRY-UHFFFAOYSA-N
XLogP4.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine (CID 58366312) is 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine is Cc1cc(N2CCN(C3CCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine?
The InChIKey is AUYVPRDXXZYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2/c1-13-10-14(17(18,19)20)12-16(11-13)22-8-6-21(7-9-22)15-4-2-3-5-15/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine?
1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine has a molecular weight of 312.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 58366312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).