(4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone

C12H20F2N2O — CID 68932665

IUPAC(4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2N2O/c1-9-8-15-6-7-16(9)11(17)10-2-4-12(13,14)5-3-10/h9-10,15H,2-8H2,1H3/t9-/m1/s1
InChIKeyBHEWLZKSYCVRHU-SECBINFHSA-N
MW246.30 g/mol
LogP1.63
Rot. Bonds1

About (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone

(4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 68932665) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID68932665
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2N2O/c1-9-8-15-6-7-16(9)11(17)10-2-4-12(13,14)5-3-10/h9-10,15H,2-8H2,1H3/t9-/m1/s1
InChIKeyBHEWLZKSYCVRHU-SECBINFHSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone 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 (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 68932665) is (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone is C[C@@H]1CNCCN1C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is BHEWLZKSYCVRHU-SECBINFHSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-9-8-15-6-7-16(9)11(17)10-2-4-12(13,14)5-3-10/h9-10,15H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 246.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 68932665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).