1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one

C14H26N2O2 — CID 112533196

IUPAC1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC1(C)C(O)CCN1C(=O)CCN1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-14(2)12(17)6-11-16(14)13(18)7-10-15-8-4-3-5-9-15/h12,17H,3-11H2,1-2H3
InChIKeyORTHVMMFUOKKTK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.23
Rot. Bonds3

About 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one

1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 112533196) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID112533196
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC1(C)C(O)CCN1C(=O)CCN1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-14(2)12(17)6-11-16(14)13(18)7-10-15-8-4-3-5-9-15/h12,17H,3-11H2,1-2H3
InChIKeyORTHVMMFUOKKTK-UHFFFAOYSA-N
XLogP1.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
3-cyclobutyl-1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)propan-1-one
CID 115275816
2,2-dimethyl-1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-one
CID 112533245
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115275797
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-4-pyridin-4-ylbutan-1-one
CID 115275087
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-3-yl)propan-1-one
CID 115275807
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 95606254
3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
CID 50958689
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)but-2-yn-1-one
CID 130735696
3-(azocan-1-yl)-1-[4-(1-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 46991961

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one (CID 112533196) is 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one is CC1(C)C(O)CCN1C(=O)CCN1CCCCC1.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is ORTHVMMFUOKKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2)12(17)6-11-16(14)13(18)7-10-15-8-4-3-5-9-15/h12,17H,3-11H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one?
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112533196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).