(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H21F3N2O — CID 116656471

IUPAC(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1CCCN(C(=O)N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H21F3N2O/c1-10-4-2-6-17(8-10)12(19)18-7-3-5-11(9-18)13(14,15)16/h10-11H,2-9H2,1H3
InChIKeyVDVPVBASDIMVFE-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.11
Rot. Bonds

About (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 116656471) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID116656471
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1CCCN(C(=O)N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H21F3N2O/c1-10-4-2-6-17(8-10)12(19)18-7-3-5-11(9-18)13(14,15)16/h10-11H,2-9H2,1H3
InChIKeyVDVPVBASDIMVFE-UHFFFAOYSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-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 (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 116656471) is (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CC1CCCN(C(=O)N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is VDVPVBASDIMVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-10-4-2-6-17(8-10)12(19)18-7-3-5-11(9-18)13(14,15)16/h10-11H,2-9H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 278.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 116656471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).