1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one

C17H34N2O2 — CID 83995783

IUPAC1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CC(O)CC)CC(NCCC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-5-16(20)10-14-9-15(18-8-7-13(3)4)12-19(11-14)17(21)6-2/h13-16,18,20H,5-12H2,1-4H3
InChIKeyVBYDKIXFLBBGPE-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.41
Rot. Bonds8

About 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one

1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one (PubChem CID 83995783) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
PubChem CID83995783
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CC(O)CC)CC(NCCC(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-5-16(20)10-14-9-15(18-8-7-13(3)4)12-19(11-14)17(21)6-2/h13-16,18,20H,5-12H2,1-4H3
InChIKeyVBYDKIXFLBBGPE-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543225
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
CID 83992307
1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
CID 83991645
2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
CID 83994764
1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
CID 126603690
1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83994299
tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995714
methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995695
1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83993131
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
methyl 3-[1-acetyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995757

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one (CID 83995783) is 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one is CCC(=O)N1CC(CC(O)CC)CC(NCCC(C)C)C1.
What is the InChIKey of 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one?
The InChIKey is VBYDKIXFLBBGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-16(20)10-14-9-15(18-8-7-13(3)4)12-19(11-14)17(21)6-2/h13-16,18,20H,5-12H2,1-4H3.
What are the key properties of 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one?
1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one has a molecular weight of 298.47 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 83995783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).