1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one

C13H23NO3 — CID 103900586

IUPAC1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCC1CCN(C(=O)CCC2CCCO2)CC1O
InChIInChI=1S/C13H23NO3/c1-10-6-7-14(9-12(10)15)13(16)5-4-11-3-2-8-17-11/h10-12,15H,2-9H2,1H3
InChIKeyBWKKOUDADPDBGF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.17
Rot. Bonds3

About 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one

1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 103900586) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID103900586
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCC1CCN(C(=O)CCC2CCCO2)CC1O
InChIInChI=1S/C13H23NO3/c1-10-6-7-14(9-12(10)15)13(16)5-4-11-3-2-8-17-11/h10-12,15H,2-9H2,1H3
InChIKeyBWKKOUDADPDBGF-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 79031161
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 63106049
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
1-[3-(bromomethyl)pyrrolidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 80667375
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 102786570
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one;hydrochloride
CID 119518131
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one (CID 103900586) is 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one is CC1CCN(C(=O)CCC2CCCO2)CC1O.
What is the InChIKey of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is BWKKOUDADPDBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-6-7-14(9-12(10)15)13(16)5-4-11-3-2-8-17-11/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 241.33 g/mol, XLogP of 1.17, 3 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-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 103900586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).