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

C19H36N2O — CID 83999243

IUPAC1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
SMILESCCCCC1CC(NC2CCCCC2)CN(C(=O)CCC)C1
InChIInChI=1S/C19H36N2O/c1-3-5-10-16-13-18(20-17-11-7-6-8-12-17)15-21(14-16)19(22)9-4-2/h16-18,20H,3-15H2,1-2H3
InChIKeyNIIIDGYNGFNDCZ-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.12
Rot. Bonds7

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

1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one (PubChem CID 83999243) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
PubChem CID83999243
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
SMILESCCCCC1CC(NC2CCCCC2)CN(C(=O)CCC)C1
InChIInChI=1S/C19H36N2O/c1-3-5-10-16-13-18(20-17-11-7-6-8-12-17)15-21(14-16)19(22)9-4-2/h16-18,20H,3-15H2,1-2H3
InChIKeyNIIIDGYNGFNDCZ-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
CID 83991653
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101

Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one (CID 83999243) is 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one is CCCCC1CC(NC2CCCCC2)CN(C(=O)CCC)C1.
What is the InChIKey of 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one?
The InChIKey is NIIIDGYNGFNDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-3-5-10-16-13-18(20-17-11-7-6-8-12-17)15-21(14-16)19(22)9-4-2/h16-18,20H,3-15H2,1-2H3.
What are the key properties of 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one?
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one has a molecular weight of 308.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83999243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).