[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone

C13H23F2N3O2 — CID 119867042

IUPAC[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCN(CC(F)F)CC2)CCNCC1
InChIInChI=1S/C13H23F2N3O2/c1-20-13(2-4-16-5-3-13)12(19)18-8-6-17(7-9-18)10-11(14)15/h11,16H,2-10H2,1H3
InChIKeyCXWCKSCFVSKRON-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.16
Rot. Bonds4

About [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone

[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone (PubChem CID 119867042) has the molecular formula C13H23F2N3O2 and a molecular weight of 291.34 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
PubChem CID119867042
Molecular FormulaC13H23F2N3O2
Molecular Weight291.34 g/mol
Exact Mass291.18
IUPAC Name[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCN(CC(F)F)CC2)CCNCC1
InChIInChI=1S/C13H23F2N3O2/c1-20-13(2-4-16-5-3-13)12(19)18-8-6-17(7-9-18)10-11(14)15/h11,16H,2-10H2,1H3
InChIKeyCXWCKSCFVSKRON-UHFFFAOYSA-N
XLogP0.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-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-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The IUPAC name of [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone (CID 119867042) is [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The canonical SMILES for [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone is COC1(C(=O)N2CCN(CC(F)F)CC2)CCNCC1.
What is the InChIKey of [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The InChIKey is CXWCKSCFVSKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3O2/c1-20-13(2-4-16-5-3-13)12(19)18-8-6-17(7-9-18)10-11(14)15/h11,16H,2-10H2,1H3.
What are the key properties of [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
[4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone has a molecular weight of 291.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 119867042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).