1-propylpiperidin-2-one

C8H15NO — CID 10942532

IUPAC1-propylpiperidin-2-one
SMILESCCCN1CCCCC1=O
InChIInChI=1S/C8H15NO/c1-2-6-9-7-4-3-5-8(9)10/h2-7H2,1H3
InChIKeyPYOFHCFMVFHGGF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds2

About 1-propylpiperidin-2-one

1-propylpiperidin-2-one (PubChem CID 10942532) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-propylpiperidin-2-one.

Molecular Properties

Compound Name1-propylpiperidin-2-one
PubChem CID10942532
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-propylpiperidin-2-one
SMILESCCCN1CCCCC1=O
InChIInChI=1S/C8H15NO/c1-2-6-9-7-4-3-5-8(9)10/h2-7H2,1H3
InChIKeyPYOFHCFMVFHGGF-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Acetylpiperidine
CID 12058
N-Methyl-2-piperidone
CID 13603
1-Hexanoylpiperidine
CID 246831
1-Ethylpiperidin-2-one
CID 12364385
2-Piperidinone, 1,5-dimethyl-
CID 159027
1-(1-Piperidinyl)-1-propanone
CID 26421
2,6-Piperidinedione, 1-methyl-
CID 161476
1,3-Dimethyl-2-piperidinone
CID 160591
1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
N,N-dipropylpentanamide
CID 304102
Piperazine, 1,4-divaleryl-
CID 205870
1-Ethylpiperidine-2,4-dione
CID 13784119

Frequently Asked Questions

What is the IUPAC name of 1-propylpiperidin-2-one?
The IUPAC name of 1-propylpiperidin-2-one (CID 10942532) is 1-propylpiperidin-2-one.
What is the SMILES notation for 1-propylpiperidin-2-one?
The canonical SMILES for 1-propylpiperidin-2-one is CCCN1CCCCC1=O.
What is the InChIKey of 1-propylpiperidin-2-one?
The InChIKey is PYOFHCFMVFHGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-6-9-7-4-3-5-8(9)10/h2-7H2,1H3.
What are the key properties of 1-propylpiperidin-2-one?
1-propylpiperidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperidin-2-one is sourced from PubChem (CID 10942532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).