1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one

C15H29NO4 — CID 106990753

IUPAC1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
SMILESCOCC(C)OCC(O)CN1CCCCC1CC(C)=O
InChIInChI=1S/C15H29NO4/c1-12(17)8-14-6-4-5-7-16(14)9-15(18)11-20-13(2)10-19-3/h13-15,18H,4-11H2,1-3H3
InChIKeyFIMASCJGGQMJDJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.23
Rot. Bonds9

About 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one

1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one (PubChem CID 106990753) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
PubChem CID106990753
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
SMILESCOCC(C)OCC(O)CN1CCCCC1CC(C)=O
InChIInChI=1S/C15H29NO4/c1-12(17)8-14-6-4-5-7-16(14)9-15(18)11-20-13(2)10-19-3/h13-15,18H,4-11H2,1-3H3
InChIKeyFIMASCJGGQMJDJ-UHFFFAOYSA-N
XLogP1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-(2-hydroxypropyl)azepan-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993188
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
1-[1-(2,3-dihydroxypropyl)azepan-2-yl]propan-2-one
CID 82851054
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 106988201
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3-methylpiperidine-2-carboxylic acid
CID 107072174
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888
1-(1-methoxypropan-2-yloxy)-3-(2-pyrrolidin-2-ylpiperidin-1-yl)propan-2-ol
CID 106992573
1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635453
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one (CID 106990753) is 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one is COCC(C)OCC(O)CN1CCCCC1CC(C)=O.
What is the InChIKey of 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one?
The InChIKey is FIMASCJGGQMJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-12(17)8-14-6-4-5-7-16(14)9-15(18)11-20-13(2)10-19-3/h13-15,18H,4-11H2,1-3H3.
What are the key properties of 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one?
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one has a molecular weight of 287.40 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 106990753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).