1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone

C17H25NO — CID 116917204

IUPAC1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
SMILESCc1ccc(C(C)C)cc1C(=O)CC1CCCNC1
InChIInChI=1S/C17H25NO/c1-12(2)15-7-6-13(3)16(10-15)17(19)9-14-5-4-8-18-11-14/h6-7,10,12,14,18H,4-5,8-9,11H2,1-3H3
InChIKeyVPSXEVIXDXUWSE-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone

1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone (PubChem CID 116917204) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
PubChem CID116917204
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
SMILESCc1ccc(C(C)C)cc1C(=O)CC1CCCNC1
InChIInChI=1S/C17H25NO/c1-12(2)15-7-6-13(3)16(10-15)17(19)9-14-5-4-8-18-11-14/h6-7,10,12,14,18H,4-5,8-9,11H2,1-3H3
InChIKeyVPSXEVIXDXUWSE-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
CID 107514868
1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone
CID 82493091
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
CID 105497823
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone (CID 116917204) is 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone is Cc1ccc(C(C)C)cc1C(=O)CC1CCCNC1.
What is the InChIKey of 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone?
The InChIKey is VPSXEVIXDXUWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)15-7-6-13(3)16(10-15)17(19)9-14-5-4-8-18-11-14/h6-7,10,12,14,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone?
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone has a molecular weight of 259.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 116917204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).