1-(1-propan-2-ylpiperidin-2-yl)propan-2-one

C11H21NO — CID 79537839

IUPAC1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCCCN1C(C)C
InChIInChI=1S/C11H21NO/c1-9(2)12-7-5-4-6-11(12)8-10(3)13/h9,11H,4-8H2,1-3H3
InChIKeyOCXLJJITVJMQFO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.23
Rot. Bonds3

About 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one

1-(1-propan-2-ylpiperidin-2-yl)propan-2-one (PubChem CID 79537839) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
PubChem CID79537839
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCCCN1C(C)C
InChIInChI=1S/C11H21NO/c1-9(2)12-7-5-4-6-11(12)8-10(3)13/h9,11H,4-8H2,1-3H3
InChIKeyOCXLJJITVJMQFO-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366373
2-[2-(2-oxopropyl)piperidin-1-yl]pentanoic acid
CID 83041043
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]propanamide
CID 79546990
N-propan-2-yl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]acetamide
CID 163258628
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
CID 79560458
ethyl 2-[2-(2-oxopropyl)azepan-1-yl]butanoate
CID 79560859
2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
CID 79546238
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
2-(2-oxopropyl)azepane-1-carbaldehyde
CID 13117688

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one?
The IUPAC name of 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one (CID 79537839) is 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one is CC(=O)CC1CCCCN1C(C)C.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one?
The InChIKey is OCXLJJITVJMQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)12-7-5-4-6-11(12)8-10(3)13/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one?
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-2-yl)propan-2-one is sourced from PubChem (CID 79537839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).