2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine

C13H24F2N2 — CID 170943550

IUPAC2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
SMILESCC(C)(C1CCC(F)(F)CC1)C1CNCCN1
InChIInChI=1S/C13H24F2N2/c1-12(2,11-9-16-7-8-17-11)10-3-5-13(14,15)6-4-10/h10-11,16-17H,3-9H2,1-2H3
InChIKeyLWBRMBGGOOKSLB-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.40
Rot. Bonds2

About 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine

2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine (PubChem CID 170943550) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
PubChem CID170943550
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
SMILESCC(C)(C1CCC(F)(F)CC1)C1CNCCN1
InChIInChI=1S/C13H24F2N2/c1-12(2,11-9-16-7-8-17-11)10-3-5-13(14,15)6-4-10/h10-11,16-17H,3-9H2,1-2H3
InChIKeyLWBRMBGGOOKSLB-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]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 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The IUPAC name of 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine (CID 170943550) is 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine.
What is the SMILES notation for 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The canonical SMILES for 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine is CC(C)(C1CCC(F)(F)CC1)C1CNCCN1.
What is the InChIKey of 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The InChIKey is LWBRMBGGOOKSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-12(2,11-9-16-7-8-17-11)10-3-5-13(14,15)6-4-10/h10-11,16-17H,3-9H2,1-2H3.
What are the key properties of 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine has a molecular weight of 246.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine is sourced from PubChem (CID 170943550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).