1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid

C14H23N3O2 — CID 65196964

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1nn(C)cc1C(C)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H23N3O2/c1-10-12(9-16(4)15-10)11(2)17-7-5-14(3,6-8-17)13(18)19/h9,11H,5-8H2,1-4H3,(H,18,19)
InChIKeyHCFPFKRTKZQRIH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds3

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 65196964) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID65196964
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1nn(C)cc1C(C)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H23N3O2/c1-10-12(9-16(4)15-10)11(2)17-7-5-14(3,6-8-17)13(18)19/h9,11H,5-8H2,1-4H3,(H,18,19)
InChIKeyHCFPFKRTKZQRIH-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid (CID 65196964) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid is Cc1nn(C)cc1C(C)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is HCFPFKRTKZQRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-12(9-16(4)15-10)11(2)17-7-5-14(3,6-8-17)13(18)19/h9,11H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid?
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65196964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).