1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine

C15H28F2N2 — CID 140906734

IUPAC1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C15H28F2N2/c1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17/h12-15H,3-11H2,1-2H3
InChIKeyPJNNLNCUEFORRK-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.08
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine

1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 140906734) has the molecular formula C15H28F2N2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID140906734
Molecular FormulaC15H28F2N2
Molecular Weight274.40 g/mol
Exact Mass274.22
IUPAC Name1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(CC(F)F)CC2)CC1
InChIInChI=1S/C15H28F2N2/c1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17/h12-15H,3-11H2,1-2H3
InChIKeyPJNNLNCUEFORRK-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine (CID 140906734) is 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCN(CC(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is PJNNLNCUEFORRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2/c1-12(2)13-3-5-14(6-4-13)19-9-7-18(8-10-19)11-15(16)17/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine?
1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 274.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 140906734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).