(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone

C13H20N4O — CID 104642815

IUPAC(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
SMILESCC1(C)CCCN(C(=O)c2ccc(NN)cn2)C1
InChIInChI=1S/C13H20N4O/c1-13(2)6-3-7-17(9-13)12(18)11-5-4-10(16-14)8-15-11/h4-5,8,16H,3,6-7,9,14H2,1-2H3
InChIKeyPNXDRKWDMCSYAT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.63
Rot. Bonds2

About (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone

(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone (PubChem CID 104642815) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
PubChem CID104642815
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
SMILESCC1(C)CCCN(C(=O)c2ccc(NN)cn2)C1
InChIInChI=1S/C13H20N4O/c1-13(2)6-3-7-17(9-13)12(18)11-5-4-10(16-14)8-15-11/h4-5,8,16H,3,6-7,9,14H2,1-2H3
InChIKeyPNXDRKWDMCSYAT-UHFFFAOYSA-N
XLogP1.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
(5-hydrazinyl-2-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104642780
(4-ethyl-4-methylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436346
(5-hydrazinyl-2-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 104642344
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone
CID 104968896
1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436314
(5-hydrazinyl-2-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103538701
(5-hydrazinyl-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 104642325
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
CID 104641276
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
CID 65281399
3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641203

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone (CID 104642815) is (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone is CC1(C)CCCN(C(=O)c2ccc(NN)cn2)C1.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is PNXDRKWDMCSYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2)6-3-7-17(9-13)12(18)11-5-4-10(16-14)8-15-11/h4-5,8,16H,3,6-7,9,14H2,1-2H3.
What are the key properties of (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone?
(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 104642815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).