1-butyl-5-(2-methylpropyl)piperidin-2-one

C13H25NO — CID 139951244

IUPAC1-butyl-5-(2-methylpropyl)piperidin-2-one
SMILESCCCCN1CC(CC(C)C)CCC1=O
InChIInChI=1S/C13H25NO/c1-4-5-8-14-10-12(9-11(2)3)6-7-13(14)15/h11-12H,4-10H2,1-3H3
InChIKeyHJIFRQCSPQSBPU-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds5

About 1-butyl-5-(2-methylpropyl)piperidin-2-one

1-butyl-5-(2-methylpropyl)piperidin-2-one (PubChem CID 139951244) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-butyl-5-(2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name1-butyl-5-(2-methylpropyl)piperidin-2-one
PubChem CID139951244
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-butyl-5-(2-methylpropyl)piperidin-2-one
SMILESCCCCN1CC(CC(C)C)CCC1=O
InChIInChI=1S/C13H25NO/c1-4-5-8-14-10-12(9-11(2)3)6-7-13(14)15/h11-12H,4-10H2,1-3H3
InChIKeyHJIFRQCSPQSBPU-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dibutylpiperidin-2-one
CID 139951277
1-butyl-5-propan-2-ylpiperidin-2-one
CID 139951242
5-amino-1-butylpiperidin-2-one
CID 64978058
5-amino-1-pentylpiperidin-2-one
CID 64977965
1-pentadecyl-5-propan-2-ylpiperidin-2-one
CID 166871927
5-amino-1-dodecylpiperidin-2-one
CID 64977984
1-pentadecyl-5-(propan-2-ylamino)piperidin-2-one
CID 167356479
5-propan-2-yl-1-propylpiperidin-2-one
CID 139951370
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
1-butyl-6-methyl-1,4-diazepan-2-one
CID 83696938
4-(2-methylpropyl)-1-[[(4S)-4-(2-methylpropyl)-2-oxopyrrolidin-1-yl]methyl]pyrrolidin-2-one
CID 166734845

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(2-methylpropyl)piperidin-2-one?
The IUPAC name of 1-butyl-5-(2-methylpropyl)piperidin-2-one (CID 139951244) is 1-butyl-5-(2-methylpropyl)piperidin-2-one.
What is the SMILES notation for 1-butyl-5-(2-methylpropyl)piperidin-2-one?
The canonical SMILES for 1-butyl-5-(2-methylpropyl)piperidin-2-one is CCCCN1CC(CC(C)C)CCC1=O.
What is the InChIKey of 1-butyl-5-(2-methylpropyl)piperidin-2-one?
The InChIKey is HJIFRQCSPQSBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-8-14-10-12(9-11(2)3)6-7-13(14)15/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-butyl-5-(2-methylpropyl)piperidin-2-one?
1-butyl-5-(2-methylpropyl)piperidin-2-one has a molecular weight of 211.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 139951244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).