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

C17H25NO — CID 116917151

IUPAC1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
SMILESCc1ccc(C(C)C)cc1C(=O)CC1CCCCN1
InChIInChI=1S/C17H25NO/c1-12(2)14-8-7-13(3)16(10-14)17(19)11-15-6-4-5-9-18-15/h7-8,10,12,15,18H,4-6,9,11H2,1-3H3
InChIKeyFRKLZYOTDWVVPR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.83
Rot. Bonds4

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

1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone (PubChem CID 116917151) 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-2-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
PubChem CID116917151
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
SMILESCc1ccc(C(C)C)cc1C(=O)CC1CCCCN1
InChIInChI=1S/C17H25NO/c1-12(2)14-8-7-13(3)16(10-14)17(19)11-15-6-4-5-9-18-15/h7-8,10,12,15,18H,4-6,9,11H2,1-3H3
InChIKeyFRKLZYOTDWVVPR-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
CID 116917204
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208280
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone
CID 82493091
2-(azepan-2-yl)-1-(2,4-dichlorophenyl)ethanone
CID 79538236
2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513940
2-(azepan-2-yl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 79538706
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
1-(5-methylfuran-2-yl)-2-piperidin-2-ylethanone
CID 79538933
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone (CID 116917151) is 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone is Cc1ccc(C(C)C)cc1C(=O)CC1CCCCN1.
What is the InChIKey of 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone?
The InChIKey is FRKLZYOTDWVVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)14-8-7-13(3)16(10-14)17(19)11-15-6-4-5-9-18-15/h7-8,10,12,15,18H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone?
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone has a molecular weight of 259.39 g/mol, XLogP of 3.83, 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-2-ylethanone is sourced from PubChem (CID 116917151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).