2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide

C15H23N3O — CID 63573428

IUPAC2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
SMILESCC1(C)CCN(Cc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C15H23N3O/c1-15(2)7-9-18(10-8-15)11-12-5-3-4-6-13(12)14(19)17-16/h3-6H,7-11,16H2,1-2H3,(H,17,19)
InChIKeyDFCNOWYGGDUNSM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.91
Rot. Bonds3

About 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide

2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide (PubChem CID 63573428) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
PubChem CID63573428
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
SMILESCC1(C)CCN(Cc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C15H23N3O/c1-15(2)7-9-18(10-8-15)11-12-5-3-4-6-13(12)14(19)17-16/h3-6H,7-11,16H2,1-2H3,(H,17,19)
InChIKeyDFCNOWYGGDUNSM-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.91
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

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CID 63569716
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CID 63573353
2-[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
2-[(4,4-dimethylpiperidin-1-yl)methyl]phenol
CID 82979989
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
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2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
CID 66371242
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 55213258
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
CID 107408094

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide (CID 63573428) is 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide is CC1(C)CCN(Cc2ccccc2C(=O)NN)CC1.
What is the InChIKey of 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide?
The InChIKey is DFCNOWYGGDUNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)7-9-18(10-8-15)11-12-5-3-4-6-13(12)14(19)17-16/h3-6H,7-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide?
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63573428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).