1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one

C14H28N2O — CID 83989768

IUPAC1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCCCC1CC(NC)CN(C(=O)CCC)C1
InChIInChI=1S/C14H28N2O/c1-4-6-8-12-9-13(15-3)11-16(10-12)14(17)7-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyCYQFCGGUZZIGGO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds6

About 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one

1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one (PubChem CID 83989768) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
PubChem CID83989768
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCCCC1CC(NC)CN(C(=O)CCC)C1
InChIInChI=1S/C14H28N2O/c1-4-6-8-12-9-13(15-3)11-16(10-12)14(17)7-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyCYQFCGGUZZIGGO-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
CID 83991653
1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
CID 83994409
N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
CID 112542725
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
N-(1-butanoyl-5-ethylpiperidin-3-yl)acetamide
CID 112541827
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
5-butyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989561
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202

Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one (CID 83989768) is 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one is CCCCC1CC(NC)CN(C(=O)CCC)C1.
What is the InChIKey of 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The InChIKey is CYQFCGGUZZIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-8-12-9-13(15-3)11-16(10-12)14(17)7-5-2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one?
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83989768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).