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

C11H17N3O2 — CID 166168328

IUPAC2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid
SMILESCc1cnn(C2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C11H17N3O2/c1-9-6-12-14(7-9)10-2-4-13(5-3-10)8-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyRYNDDVBHHBYDDH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.91
Rot. Bonds3

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

2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid (PubChem CID 166168328) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid
PubChem CID166168328
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid
SMILESCc1cnn(C2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C11H17N3O2/c1-9-6-12-14(7-9)10-2-4-13(5-3-10)8-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyRYNDDVBHHBYDDH-UHFFFAOYSA-N
XLogP0.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid (CID 166168328) is 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid is Cc1cnn(C2CCN(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid?
The InChIKey is RYNDDVBHHBYDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-6-12-14(7-9)10-2-4-13(5-3-10)8-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid?
2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 166168328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).