2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid

C13H21N3O2 — CID 103004893

IUPAC2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
SMILESCn1nccc1CCN1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H21N3O2/c1-15-12(2-6-14-15)5-9-16-7-3-11(4-8-16)10-13(17)18/h2,6,11H,3-5,7-10H2,1H3,(H,17,18)
InChIKeyPGKFTMKBKQZEDT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds5

About 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid

2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid (PubChem CID 103004893) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
PubChem CID103004893
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
SMILESCn1nccc1CCN1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H21N3O2/c1-15-12(2-6-14-15)5-9-16-7-3-11(4-8-16)10-13(17)18/h2,6,11H,3-5,7-10H2,1H3,(H,17,18)
InChIKeyPGKFTMKBKQZEDT-UHFFFAOYSA-N
XLogP1.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79605623
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862979
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
CID 103014006
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid (CID 103004893) is 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid is Cn1nccc1CCN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is PGKFTMKBKQZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-12(2-6-14-15)5-9-16-7-3-11(4-8-16)10-13(17)18/h2,6,11H,3-5,7-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid?
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 103004893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).