1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one

C12H23NO3 — CID 102958903

IUPAC1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C12H23NO3/c1-3-7-16-8-5-12(15)13-6-4-10(2)11(14)9-13/h10-11,14H,3-9H2,1-2H3
InChIKeyYFDHCIQKESXZCH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds5

About 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one

1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one (PubChem CID 102958903) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one
PubChem CID102958903
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C12H23NO3/c1-3-7-16-8-5-12(15)13-6-4-10(2)11(14)9-13/h10-11,14H,3-9H2,1-2H3
InChIKeyYFDHCIQKESXZCH-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 103975895
3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291781
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 114680112
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102954849
1-(3-hydroxy-4-methylpiperidin-1-yl)-4-(methylamino)butan-1-one
CID 102957222
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
4-(4-bromophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 103900409
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one?
The IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one (CID 102958903) is 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one is CCCOCCC(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one?
The InChIKey is YFDHCIQKESXZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-7-16-8-5-12(15)13-6-4-10(2)11(14)9-13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one?
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one is sourced from PubChem (CID 102958903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).