1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone

C17H25NO — CID 116614195

IUPAC1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2(C)CCCCN2)cc1
InChIInChI=1S/C17H25NO/c1-13(2)15-8-6-14(7-9-15)12-16(19)17(3)10-4-5-11-18-17/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyDLCWGHAOLKHVKL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone

1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 116614195) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID116614195
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2(C)CCCCN2)cc1
InChIInChI=1S/C17H25NO/c1-13(2)15-8-6-14(7-9-15)12-16(19)17(3)10-4-5-11-18-17/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyDLCWGHAOLKHVKL-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580447
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580591
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580394
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide
CID 110027378
N-butan-2-yl-N,2-dimethylpiperidine-2-carboxamide
CID 104596127
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597060
4-[(1S)-1-[[(2R)-2-methylpiperidine-2-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 174801370
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 102622142
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-2-carboxamide
CID 104596225
1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116580409

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone (CID 116614195) is 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)C2(C)CCCCN2)cc1.
What is the InChIKey of 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is DLCWGHAOLKHVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)15-8-6-14(7-9-15)12-16(19)17(3)10-4-5-11-18-17/h6-9,13,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone?
1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 259.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 116614195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).