2-(3-propylpiperidin-4-yl)acetic acid

C10H19NO2 — CID 84660229

IUPAC2-(3-propylpiperidin-4-yl)acetic acid
SMILESCCCC1CNCCC1CC(=O)O
InChIInChI=1S/C10H19NO2/c1-2-3-9-7-11-5-4-8(9)6-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyWJEORVXUQPEKKU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds4

About 2-(3-propylpiperidin-4-yl)acetic acid

2-(3-propylpiperidin-4-yl)acetic acid (PubChem CID 84660229) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-propylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-propylpiperidin-4-yl)acetic acid
PubChem CID84660229
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3-propylpiperidin-4-yl)acetic acid
SMILESCCCC1CNCCC1CC(=O)O
InChIInChI=1S/C10H19NO2/c1-2-3-9-7-11-5-4-8(9)6-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyWJEORVXUQPEKKU-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R,4S)-3-[2-(4-fluoro-N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 77059007
2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid
CID 155822118
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 162973087
ethyl (4R)-4-propylpiperidine-3-carboxylate
CID 121479190
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
3-propylpyrrolidine-2-carboxylic acid
CID 14482017
3-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 14482018
[(3R,4S)-4-propylpiperidin-3-yl] benzoate
CID 10681954
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732

Frequently Asked Questions

What is the IUPAC name of 2-(3-propylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(3-propylpiperidin-4-yl)acetic acid (CID 84660229) is 2-(3-propylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-propylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-propylpiperidin-4-yl)acetic acid is CCCC1CNCCC1CC(=O)O.
What is the InChIKey of 2-(3-propylpiperidin-4-yl)acetic acid?
The InChIKey is WJEORVXUQPEKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-9-7-11-5-4-8(9)6-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(3-propylpiperidin-4-yl)acetic acid?
2-(3-propylpiperidin-4-yl)acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 84660229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).