3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one

C17H25NO2 — CID 116563717

IUPAC3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1cccc(C(=O)CCC2CCCCN2)c1
InChIInChI=1S/C17H25NO2/c1-13(2)20-16-8-5-6-14(12-16)17(19)10-9-15-7-3-4-11-18-15/h5-6,8,12-13,15,18H,3-4,7,9-11H2,1-2H3
InChIKeySCAIBVQJQKNEOP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.58
Rot. Bonds6

About 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one

3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one (PubChem CID 116563717) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
PubChem CID116563717
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1cccc(C(=O)CCC2CCCCN2)c1
InChIInChI=1S/C17H25NO2/c1-13(2)20-16-8-5-6-14(12-16)17(19)10-9-15-7-3-4-11-18-15/h5-6,8,12-13,15,18H,3-4,7,9-11H2,1-2H3
InChIKeySCAIBVQJQKNEOP-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
1-(3-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586621
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
4-bromo-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 146007117
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116594401
4,4-dimethyl-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 114970108
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
4-oxo-4-(3-propan-2-yloxyphenyl)butanenitrile
CID 61213015
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79537731

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one (CID 116563717) is 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one is CC(C)Oc1cccc(C(=O)CCC2CCCCN2)c1.
What is the InChIKey of 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is SCAIBVQJQKNEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)20-16-8-5-6-14(12-16)17(19)10-9-15-7-3-4-11-18-15/h5-6,8,12-13,15,18H,3-4,7,9-11H2,1-2H3.
What are the key properties of 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one?
3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 116563717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).