1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one

C16H32N2O2 — CID 83994409

IUPAC1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(CCCO)CC(NCC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-4-6-16(20)18-11-14(7-5-8-19)9-15(12-18)17-10-13(2)3/h13-15,17,19H,4-12H2,1-3H3
InChIKeyGLNPBLPYQZIMJR-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.02
Rot. Bonds8

About 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one

1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one (PubChem CID 83994409) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
PubChem CID83994409
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(CCCO)CC(NCC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-4-6-16(20)18-11-14(7-5-8-19)9-15(12-18)17-10-13(2)3/h13-15,17,19H,4-12H2,1-3H3
InChIKeyGLNPBLPYQZIMJR-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
N-[1-butanoyl-5-(3-hydroxypropyl)piperidin-3-yl]-2-methylpropanamide
CID 112542725
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
1-[3-butyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989768
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767
3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992872
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide
CID 112542681

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one (CID 83994409) is 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one is CCCC(=O)N1CC(CCCO)CC(NCC(C)C)C1.
What is the InChIKey of 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one?
The InChIKey is GLNPBLPYQZIMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-6-16(20)18-11-14(7-5-8-19)9-15(12-18)17-10-13(2)3/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one?
1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one has a molecular weight of 284.44 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83994409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).