2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid

C14H25NO3 — CID 79608135

IUPAC2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CCCC2CCCO2)CC1
InChIInChI=1S/C14H25NO3/c16-14(17)11-12-5-8-15(9-6-12)7-1-3-13-4-2-10-18-13/h12-13H,1-11H2,(H,16,17)
InChIKeyLIWVWSKMAKRZIG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds6

About 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid

2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid (PubChem CID 79608135) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
PubChem CID79608135
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CCCC2CCCO2)CC1
InChIInChI=1S/C14H25NO3/c16-14(17)11-12-5-8-15(9-6-12)7-1-3-13-4-2-10-18-13/h12-13H,1-11H2,(H,16,17)
InChIKeyLIWVWSKMAKRZIG-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
2-methyl-N-[[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methyl]propan-1-amine
CID 65161458
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65161247
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid (CID 79608135) is 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CCCC2CCCO2)CC1.
What is the InChIKey of 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid?
The InChIKey is LIWVWSKMAKRZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-14(17)11-12-5-8-15(9-6-12)7-1-3-13-4-2-10-18-13/h12-13H,1-11H2,(H,16,17).
What are the key properties of 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid?
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).