1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one

C19H36N2O — CID 83999267

IUPAC1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCCC1CC(NC2CCCCC2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C19H36N2O/c1-5-9-15-12-17(20-16-10-7-6-8-11-16)14-21(13-15)18(22)19(2,3)4/h15-17,20H,5-14H2,1-4H3
InChIKeyUDJAJDQYXXQURT-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.97
Rot. Bonds4

About 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 83999267) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID83999267
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCCC1CC(NC2CCCCC2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C19H36N2O/c1-5-9-15-12-17(20-16-10-7-6-8-11-16)14-21(13-15)18(22)19(2,3)4/h15-17,20H,5-14H2,1-4H3
InChIKeyUDJAJDQYXXQURT-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999265
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanone
CID 83991628
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-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
CID 83991653
methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
CID 83999189

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one (CID 83999267) is 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one is CCCC1CC(NC2CCCCC2)CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is UDJAJDQYXXQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-5-9-15-12-17(20-16-10-7-6-8-11-16)14-21(13-15)18(22)19(2,3)4/h15-17,20H,5-14H2,1-4H3.
What are the key properties of 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 308.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 83999267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).