2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one

C17H25NO — CID 142910401

IUPAC2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C)(c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-16(2,3)15(19)18-12-10-17(4,11-13-18)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyTVGKSXQGDXYGNV-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.61
Rot. Bonds1

About 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one

2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one (PubChem CID 142910401) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
PubChem CID142910401
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(C)(c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-16(2,3)15(19)18-12-10-17(4,11-13-18)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyTVGKSXQGDXYGNV-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one 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

2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 11717371
2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate
CID 174192661
2-methyl-3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropanoic acid
CID 122065781
(E)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)but-2-en-1-one
CID 174192675
4-methyl-N,N,4-triphenylpiperidine-1-carboxamide
CID 21022116
4-methyl-4-phenyl-1-prop-1-en-2-ylpiperidine
CID 145156044
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
3-(4-methyl-4-phenylpiperidine-1-carbonyl)-5-nitrobenzoic acid
CID 120549983
2-methylbutan-2-yl (3S)-3-methyl-3-phenylpyrrolidine-1-carboxylate
CID 174192662
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 138473789
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one (CID 142910401) is 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCC(C)(c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one?
The InChIKey is TVGKSXQGDXYGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2,3)15(19)18-12-10-17(4,11-13-18)14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 142910401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).