4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one

C19H29NO — CID 116594441

IUPAC4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
SMILESCC(C)c1ccc(CC(=O)CC(C)C2CCCNC2)cc1
InChIInChI=1S/C19H29NO/c1-14(2)17-8-6-16(7-9-17)12-19(21)11-15(3)18-5-4-10-20-13-18/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3
InChIKeyVZNZGZBTKQNYNU-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.95
Rot. Bonds6

About 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one

4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one (PubChem CID 116594441) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one.

Molecular Properties

Compound Name4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
PubChem CID116594441
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
SMILESCC(C)c1ccc(CC(=O)CC(C)C2CCCNC2)cc1
InChIInChI=1S/C19H29NO/c1-14(2)17-8-6-16(7-9-17)12-19(21)11-15(3)18-5-4-10-20-13-18/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3
InChIKeyVZNZGZBTKQNYNU-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 103042622
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
CID 116594471
(4-chlorophenyl)methyl 3-piperidin-3-ylbutanoate
CID 81046293
1-(2-bromo-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 116594286
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
6,8-dimethyl-2-piperidin-3-ylnonan-4-one
CID 114201596
1-cyclohexyl-4-piperidin-3-ylpentan-2-one
CID 116594382
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one
CID 103023956

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one?
The IUPAC name of 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one (CID 116594441) is 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one.
What is the SMILES notation for 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one?
The canonical SMILES for 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one is CC(C)c1ccc(CC(=O)CC(C)C2CCCNC2)cc1.
What is the InChIKey of 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one?
The InChIKey is VZNZGZBTKQNYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)17-8-6-16(7-9-17)12-19(21)11-15(3)18-5-4-10-20-13-18/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3.
What are the key properties of 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one?
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one has a molecular weight of 287.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one is sourced from PubChem (CID 116594441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).