(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid

C10H13N3O2 — CID 135283972

IUPAC(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@@H]1c1ccnnc1
InChIInChI=1S/C10H13N3O2/c14-10(15)13-6-2-1-3-9(13)8-4-5-11-12-7-8/h4-5,7,9H,1-3,6H2,(H,14,15)/t9-/m1/s1
InChIKeyCYLDDXFBOIKDAB-SECBINFHSA-N
MW207.23 g/mol
LogP1.68
Rot. Bonds1

About (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid

(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid (PubChem CID 135283972) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid
PubChem CID135283972
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@@H]1c1ccnnc1
InChIInChI=1S/C10H13N3O2/c14-10(15)13-6-2-1-3-9(13)8-4-5-11-12-7-8/h4-5,7,9H,1-3,6H2,(H,14,15)/t9-/m1/s1
InChIKeyCYLDDXFBOIKDAB-SECBINFHSA-N
XLogP1.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
[(2S)-1,1-dioxothian-2-yl]-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 97352110
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
2-(1H-indazol-6-yl)pyrrolidine-1-carboxylic acid
CID 166721441
2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 141220899
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
CID 97084977
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid (CID 135283972) is (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid is O=C(O)N1CCCC[C@@H]1c1ccnnc1.
What is the InChIKey of (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid?
The InChIKey is CYLDDXFBOIKDAB-SECBINFHSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)13-6-2-1-3-9(13)8-4-5-11-12-7-8/h4-5,7,9H,1-3,6H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid?
(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 135283972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).