(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone

C15H26F2N2O — CID 114506510

IUPAC(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCCC1CN(C(=O)C2CCC(F)(F)CC2)CCC1NC
InChIInChI=1S/C15H26F2N2O/c1-3-11-10-19(9-6-13(11)18-2)14(20)12-4-7-15(16,17)8-5-12/h11-13,18H,3-10H2,1-2H3
InChIKeyDSOXMUGBKFWBAA-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.66
Rot. Bonds3

About (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 114506510) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID114506510
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC Name(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCCC1CN(C(=O)C2CCC(F)(F)CC2)CCC1NC
InChIInChI=1S/C15H26F2N2O/c1-3-11-10-19(9-6-13(11)18-2)14(20)12-4-7-15(16,17)8-5-12/h11-13,18H,3-10H2,1-2H3
InChIKeyDSOXMUGBKFWBAA-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)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

Related Compounds

1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
CID 114506515
2-cyclobutyl-1-[3-ethyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161335
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
cyclopropyl-[(3R,4R)-4-[[(1R)-1-(2,6-difluorophenyl)ethyl]amino]-3-ethylpiperidin-1-yl]methanone
CID 98791488
N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 114507061
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 172646215
cyclopropyl-[(3R,4R)-3-ethyl-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]piperidin-1-yl]methanone
CID 98785215
(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517
(6R)-1-(4,4-difluorocyclohexanecarbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124973963
1-(4,4-difluorocyclohexanecarbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 110098458

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone (CID 114506510) is (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone is CCC1CN(C(=O)C2CCC(F)(F)CC2)CCC1NC.
What is the InChIKey of (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DSOXMUGBKFWBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O/c1-3-11-10-19(9-6-13(11)18-2)14(20)12-4-7-15(16,17)8-5-12/h11-13,18H,3-10H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 288.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114506510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).