1-(2,4-difluorocyclohexyl)-4-methylpiperazine

C11H20F2N2 — CID 167062717

IUPAC1-(2,4-difluorocyclohexyl)-4-methylpiperazine
SMILESCN1CCN(C2CCC(F)CC2F)CC1
InChIInChI=1S/C11H20F2N2/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h9-11H,2-8H2,1H3
InChIKeyYHRUVVZAQSOIGT-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.46
Rot. Bonds1

About 1-(2,4-difluorocyclohexyl)-4-methylpiperazine

1-(2,4-difluorocyclohexyl)-4-methylpiperazine (PubChem CID 167062717) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-(2,4-difluorocyclohexyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorocyclohexyl)-4-methylpiperazine
PubChem CID167062717
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name1-(2,4-difluorocyclohexyl)-4-methylpiperazine
SMILESCN1CCN(C2CCC(F)CC2F)CC1
InChIInChI=1S/C11H20F2N2/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h9-11H,2-8H2,1H3
InChIKeyYHRUVVZAQSOIGT-UHFFFAOYSA-N
XLogP1.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorocyclohexyl)-4-methylpiperazine 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-(2,4-difluorocyclohexyl)-4-methylpiperazine?
The IUPAC name of 1-(2,4-difluorocyclohexyl)-4-methylpiperazine (CID 167062717) is 1-(2,4-difluorocyclohexyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,4-difluorocyclohexyl)-4-methylpiperazine?
The canonical SMILES for 1-(2,4-difluorocyclohexyl)-4-methylpiperazine is CN1CCN(C2CCC(F)CC2F)CC1.
What is the InChIKey of 1-(2,4-difluorocyclohexyl)-4-methylpiperazine?
The InChIKey is YHRUVVZAQSOIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h9-11H,2-8H2,1H3.
What are the key properties of 1-(2,4-difluorocyclohexyl)-4-methylpiperazine?
1-(2,4-difluorocyclohexyl)-4-methylpiperazine has a molecular weight of 218.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorocyclohexyl)-4-methylpiperazine is sourced from PubChem (CID 167062717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).