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

C12H19N3O2 — CID 82868707

IUPAC2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCn1ccc(CN2CCC(CC(=O)O)CC2)n1
InChIInChI=1S/C12H19N3O2/c1-14-5-4-11(13-14)9-15-6-2-10(3-7-15)8-12(16)17/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyHAISGQIQYIIGQZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.11
Rot. Bonds4

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

2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 82868707) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID82868707
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCn1ccc(CN2CCC(CC(=O)O)CC2)n1
InChIInChI=1S/C12H19N3O2/c1-14-5-4-11(13-14)9-15-6-2-10(3-7-15)8-12(16)17/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyHAISGQIQYIIGQZ-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid (CID 82868707) is 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid is Cn1ccc(CN2CCC(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is HAISGQIQYIIGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-5-4-11(13-14)9-15-6-2-10(3-7-15)8-12(16)17/h4-5,10H,2-3,6-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 82868707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).