1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid

C12H19N3O2 — CID 65056574

IUPAC1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid
SMILESCC(c1cnn(C)c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O2/c1-9(11-7-13-14(2)8-11)15-5-3-10(4-6-15)12(16)17/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyIFOKTLNYTAEBPK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds3

About 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid

1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 65056574) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID65056574
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid
SMILESCC(c1cnn(C)c1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19N3O2/c1-9(11-7-13-14(2)8-11)15-5-3-10(4-6-15)12(16)17/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyIFOKTLNYTAEBPK-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid (CID 65056574) is 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid is CC(c1cnn(C)c1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is IFOKTLNYTAEBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(11-7-13-14(2)8-11)15-5-3-10(4-6-15)12(16)17/h7-10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid?
1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65056574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).