1-butyl-5-propan-2-ylpiperidin-2-one

C12H23NO — CID 139951242

IUPAC1-butyl-5-propan-2-ylpiperidin-2-one
SMILESCCCCN1CC(C(C)C)CCC1=O
InChIInChI=1S/C12H23NO/c1-4-5-8-13-9-11(10(2)3)6-7-12(13)14/h10-11H,4-9H2,1-3H3
InChIKeyJWKQDUXBESPIPP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds4

About 1-butyl-5-propan-2-ylpiperidin-2-one

1-butyl-5-propan-2-ylpiperidin-2-one (PubChem CID 139951242) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-butyl-5-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-butyl-5-propan-2-ylpiperidin-2-one
PubChem CID139951242
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-butyl-5-propan-2-ylpiperidin-2-one
SMILESCCCCN1CC(C(C)C)CCC1=O
InChIInChI=1S/C12H23NO/c1-4-5-8-13-9-11(10(2)3)6-7-12(13)14/h10-11H,4-9H2,1-3H3
InChIKeyJWKQDUXBESPIPP-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-pentadecyl-5-propan-2-ylpiperidin-2-one
CID 166871927
5-propan-2-yl-1-propylpiperidin-2-one
CID 139951370
1-butyl-5-(2-methylpropyl)piperidin-2-one
CID 139951244
5-amino-1-butylpiperidin-2-one
CID 64978058
1-(2,2-difluoropropyl)-5-propan-2-ylpiperidin-2-one
CID 176821603
1,5-dibutylpiperidin-2-one
CID 139951277
5-amino-1-pentylpiperidin-2-one
CID 64977965
1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one
CID 167356479
5-amino-1-dodecylpiperidin-2-one
CID 64977984
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one
CID 106708421
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-butyl-5-propan-2-ylpiperidin-2-one (CID 139951242) is 1-butyl-5-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-butyl-5-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-butyl-5-propan-2-ylpiperidin-2-one is CCCCN1CC(C(C)C)CCC1=O.
What is the InChIKey of 1-butyl-5-propan-2-ylpiperidin-2-one?
The InChIKey is JWKQDUXBESPIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-8-13-9-11(10(2)3)6-7-12(13)14/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-butyl-5-propan-2-ylpiperidin-2-one?
1-butyl-5-propan-2-ylpiperidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 139951242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).