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

C17H25NO — CID 116563485

IUPAC3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(C(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C17H25NO/c1-13(2)15-4-6-16(7-5-15)17(19)8-3-14-9-11-18-12-10-14/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyJNMCHUZKVKMIHR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.77
Rot. Bonds5

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

3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 116563485) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
PubChem CID116563485
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(C(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C17H25NO/c1-13(2)15-4-6-16(7-5-15)17(19)8-3-14-9-11-18-12-10-14/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyJNMCHUZKVKMIHR-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one
CID 116563481
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
3-(azepan-4-yl)-1-phenylpropan-1-one
CID 142133654
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one
CID 116563516
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one (CID 116563485) is 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one is CC(C)c1ccc(C(=O)CCC2CCNCC2)cc1.
What is the InChIKey of 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is JNMCHUZKVKMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(2)15-4-6-16(7-5-15)17(19)8-3-14-9-11-18-12-10-14/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one?
3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 116563485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).