1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one

C16H23NO — CID 116860030

IUPAC1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(c1cc(C)ccc1C)N1CCCCC1
InChIInChI=1S/C16H23NO/c1-12-7-8-13(2)15(11-12)16(14(3)18)17-9-5-4-6-10-17/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyWRHRMLBDLPDMON-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.42
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one

1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one (PubChem CID 116860030) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one
PubChem CID116860030
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(c1cc(C)ccc1C)N1CCCCC1
InChIInChI=1S/C16H23NO/c1-12-7-8-13(2)15(11-12)16(14(3)18)17-9-5-4-6-10-17/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyWRHRMLBDLPDMON-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-chloro-2-(2,5-dimethylphenyl)ethanone
CID 62224830
1-(3-methylthiophen-2-yl)-1-piperidin-1-ylpropan-2-one
CID 116860088
3-(2,5-dimethylphenyl)-4-methylpentan-2-one
CID 135184841
2-(2,4-dimethylphenyl)-2-hydroxy-1-piperidin-1-ylethanone
CID 82130939
(2S)-2-(2,5-dimethylphenyl)-2-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 97193696
1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
CID 59492308
1-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpropan-2-one
CID 116860043
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 171323393
1-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 82115815
2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
CID 82024066
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5032269

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one (CID 116860030) is 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one is CC(=O)C(c1cc(C)ccc1C)N1CCCCC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one?
The InChIKey is WRHRMLBDLPDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-7-8-13(2)15(11-12)16(14(3)18)17-9-5-4-6-10-17/h7-8,11,16H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one?
1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 116860030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).