4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one

C17H25NO — CID 82132696

IUPAC4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one
SMILESCC(=O)CC(c1ccc(C)cc1)N1CCC(C)CC1
InChIInChI=1S/C17H25NO/c1-13-4-6-16(7-5-13)17(12-15(3)19)18-10-8-14(2)9-11-18/h4-7,14,17H,8-12H2,1-3H3
InChIKeyYKUDQLYKGSJQFX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.75
Rot. Bonds4

About 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one

4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one (PubChem CID 82132696) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one
PubChem CID82132696
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one
SMILESCC(=O)CC(c1ccc(C)cc1)N1CCC(C)CC1
InChIInChI=1S/C17H25NO/c1-13-4-6-16(7-5-13)17(12-15(3)19)18-10-8-14(2)9-11-18/h4-7,14,17H,8-12H2,1-3H3
InChIKeyYKUDQLYKGSJQFX-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-4-morpholin-4-ylbutan-2-one
CID 82130931
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 125443420
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 74233622
3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63068810
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 77089396
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447292
1-methyl-3-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447291
1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea
CID 110622266
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one?
The IUPAC name of 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one (CID 82132696) is 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one is CC(=O)CC(c1ccc(C)cc1)N1CCC(C)CC1.
What is the InChIKey of 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one?
The InChIKey is YKUDQLYKGSJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-4-6-16(7-5-13)17(12-15(3)19)18-10-8-14(2)9-11-18/h4-7,14,17H,8-12H2,1-3H3.
What are the key properties of 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one?
4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 82132696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).