3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid

C13H23NO3 — CID 65162206

IUPAC3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1(CCCC2CCCO2)CCCNC1
InChIInChI=1S/C13H23NO3/c15-12(16)13(7-3-8-14-10-13)6-1-4-11-5-2-9-17-11/h11,14H,1-10H2,(H,15,16)
InChIKeyQREUBBINYBSQFF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.79
Rot. Bonds5

About 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid

3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid (PubChem CID 65162206) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
PubChem CID65162206
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1(CCCC2CCCO2)CCCNC1
InChIInChI=1S/C13H23NO3/c15-12(16)13(7-3-8-14-10-13)6-1-4-11-5-2-9-17-11/h11,14H,1-10H2,(H,15,16)
InChIKeyQREUBBINYBSQFF-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
3-[3-(oxolan-2-yl)propyl]pyrrolidin-3-ol
CID 65162228
3-ethyl-1-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 65409462
3-(6-hydroxyhexyl)piperidine-3-carboxylic acid
CID 107704736
3-fluoro-3-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 112564234
2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65407586
3-fluoro-3-[2-(oxolan-2-yl)ethyl]piperidine
CID 112563004
3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
3-(4-methoxybutyl)piperidine-3-carboxylic acid
CID 104648540
1-(4-methylpiperidin-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 116567709
3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
CID 102899317
4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 65161890

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid (CID 65162206) is 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid is O=C(O)C1(CCCC2CCCO2)CCCNC1.
What is the InChIKey of 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid?
The InChIKey is QREUBBINYBSQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-12(16)13(7-3-8-14-10-13)6-1-4-11-5-2-9-17-11/h11,14H,1-10H2,(H,15,16).
What are the key properties of 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid?
3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 65162206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).