4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline

C17H24F2N2 — CID 89112772

IUPAC4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline
SMILESCc1cc(C2CCN(CC3CC3(F)F)CC2)c(C)cc1N
InChIInChI=1S/C17H24F2N2/c1-11-8-16(20)12(2)7-15(11)13-3-5-21(6-4-13)10-14-9-17(14,18)19/h7-8,13-14H,3-6,9-10,20H2,1-2H3
InChIKeyOQUYJIAIDOFBBC-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.72
Rot. Bonds3

About 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline

4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline (PubChem CID 89112772) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline
PubChem CID89112772
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline
SMILESCc1cc(C2CCN(CC3CC3(F)F)CC2)c(C)cc1N
InChIInChI=1S/C17H24F2N2/c1-11-8-16(20)12(2)7-15(11)13-3-5-21(6-4-13)10-14-9-17(14,18)19/h7-8,13-14H,3-6,9-10,20H2,1-2H3
InChIKeyOQUYJIAIDOFBBC-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline 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-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The IUPAC name of 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline (CID 89112772) is 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline.
What is the SMILES notation for 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The canonical SMILES for 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline is Cc1cc(C2CCN(CC3CC3(F)F)CC2)c(C)cc1N.
What is the InChIKey of 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The InChIKey is OQUYJIAIDOFBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-11-8-16(20)12(2)7-15(11)13-3-5-21(6-4-13)10-14-9-17(14,18)19/h7-8,13-14H,3-6,9-10,20H2,1-2H3.
What are the key properties of 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline has a molecular weight of 294.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline is sourced from PubChem (CID 89112772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).