1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide

C14H21N3O — CID 116844644

IUPAC1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide
SMILESCc1ccccc1C1(C(=O)NN)CCN(C)CC1
InChIInChI=1S/C14H21N3O/c1-11-5-3-4-6-12(11)14(13(18)16-15)7-9-17(2)10-8-14/h3-6H,7-10,15H2,1-2H3,(H,16,18)
InChIKeyRAKHMKBWXXMQKX-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.95
Rot. Bonds2

About 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide

1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide (PubChem CID 116844644) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide
PubChem CID116844644
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide
SMILESCc1ccccc1C1(C(=O)NN)CCN(C)CC1
InChIInChI=1S/C14H21N3O/c1-11-5-3-4-6-12(11)14(13(18)16-15)7-9-17(2)10-8-14/h3-6H,7-10,15H2,1-2H3,(H,16,18)
InChIKeyRAKHMKBWXXMQKX-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-2-fluorophenyl)-1-methylpiperidine-4-carbohydrazide
CID 116844642
N,1-dimethyl-4-(2-methylphenyl)piperidin-4-amine
CID 82285705
1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844351
1-(2,3,4-trimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844541
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
N-methyl-1-(2-methylphenyl)cyclopropane-1-carbohydrazide
CID 116846113
4-(2-methylphenyl)oxane-4-carboxylic acid
CID 18524018
1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone
CID 82294883
1-methyl-4-phenylazepane-4-carboxamide;hydrate
CID 158339828
N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119996800
N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide
CID 155944841
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide (CID 116844644) is 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide is Cc1ccccc1C1(C(=O)NN)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide?
The InChIKey is RAKHMKBWXXMQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-3-4-6-12(11)14(13(18)16-15)7-9-17(2)10-8-14/h3-6H,7-10,15H2,1-2H3,(H,16,18).
What are the key properties of 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide?
1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide has a molecular weight of 247.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylphenyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 116844644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).