1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one

C25H33NO — CID 52943802

IUPAC1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one
SMILESCc1ccc(C)c(C(=O)CCCN2CCC(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C25H33NO/c1-18-7-9-20(3)23(16-18)22-11-14-26(15-12-22)13-5-6-25(27)24-17-19(2)8-10-21(24)4/h7-10,16-17,22H,5-6,11-15H2,1-4H3
InChIKeyQPOPFNWPFQDIQV-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.76
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one

1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one (PubChem CID 52943802) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one
PubChem CID52943802
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC Name1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one
SMILESCc1ccc(C)c(C(=O)CCCN2CCC(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C25H33NO/c1-18-7-9-20(3)23(16-18)22-11-14-26(15-12-22)13-5-6-25(27)24-17-19(2)8-10-21(24)4/h7-10,16-17,22H,5-6,11-15H2,1-4H3
InChIKeyQPOPFNWPFQDIQV-UHFFFAOYSA-N
XLogP5.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050255
1-(2-fluoro-4-methylphenyl)-4-pyrrolidin-1-ylbutan-1-one
CID 58514896
4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
1-benzyl-4-(2,5-dimethylphenyl)piperidine
CID 130137270
1-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
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1-(2,5-dimethylphenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63622261
1-(2,5-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836556
6-bromo-1-(2,5-dimethylphenyl)hexan-1-one
CID 146006476
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
CID 61445683
1-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperidine-4-carboxylic acid
CID 119349394
1-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972910
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one (CID 52943802) is 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one is Cc1ccc(C)c(C(=O)CCCN2CCC(c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one?
The InChIKey is QPOPFNWPFQDIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-18-7-9-20(3)23(16-18)22-11-14-26(15-12-22)13-5-6-25(27)24-17-19(2)8-10-21(24)4/h7-10,16-17,22H,5-6,11-15H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one?
1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one has a molecular weight of 363.55 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 52943802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).