2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid

C12H21NO3 — CID 79608204

IUPAC2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H21NO3/c14-12(15)8-10-3-5-13(6-4-10)9-11-2-1-7-16-11/h10-11H,1-9H2,(H,14,15)
InChIKeyXMZOYYDDLKDOMB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds4

About 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid

2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid (PubChem CID 79608204) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
PubChem CID79608204
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H21NO3/c14-12(15)8-10-3-5-13(6-4-10)9-11-2-1-7-16-11/h10-11H,1-9H2,(H,14,15)
InChIKeyXMZOYYDDLKDOMB-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]ethanol
CID 117003496
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
CID 63904881
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid (CID 79608204) is 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid?
The InChIKey is XMZOYYDDLKDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-12(15)8-10-3-5-13(6-4-10)9-11-2-1-7-16-11/h10-11H,1-9H2,(H,14,15).
What are the key properties of 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid?
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).