(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone

C14H21N3O — CID 63212098

IUPAC(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NN
InChIInChI=1S/C14H21N3O/c1-10-4-3-7-17(9-10)14(18)12-5-6-13(16-15)11(2)8-12/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3
InChIKeyOWYLAIXQZURQPL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.15
Rot. Bonds2

About (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone

(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 63212098) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID63212098
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NN
InChIInChI=1S/C14H21N3O/c1-10-4-3-7-17(9-10)14(18)12-5-6-13(16-15)11(2)8-12/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3
InChIKeyOWYLAIXQZURQPL-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 79946189
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451
(4-hydrazinyl-3-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79166049
1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
CID 126768610
(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 65286838
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 51094040
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
(2-cyclopentylpyrrolidin-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211657
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone (CID 63212098) is (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(C)C2)ccc1NN.
What is the InChIKey of (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OWYLAIXQZURQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-7-17(9-10)14(18)12-5-6-13(16-15)11(2)8-12/h5-6,8,10,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63212098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).