2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide

C16H26N4O — CID 63574180

IUPAC2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
SMILESCN1CCC(CN(C)Cc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C16H26N4O/c1-19-9-7-13(8-10-19)11-20(2)12-14-5-3-4-6-15(14)16(21)18-17/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyDESPAFFHQKRNKF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.06
Rot. Bonds5

About 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide (PubChem CID 63574180) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
PubChem CID63574180
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
SMILESCN1CCC(CN(C)Cc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C16H26N4O/c1-19-9-7-13(8-10-19)11-20(2)12-14-5-3-4-6-15(14)16(21)18-17/h3-6,13H,7-12,17H2,1-2H3,(H,18,21)
InChIKeyDESPAFFHQKRNKF-UHFFFAOYSA-N
XLogP1.06
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
2-fluoro-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115572
2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465383
methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
CID 82969568
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63572100
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63572264
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide?
The IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide (CID 63574180) is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide is CN1CCC(CN(C)Cc2ccccc2C(=O)NN)CC1.
What is the InChIKey of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide?
The InChIKey is DESPAFFHQKRNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-9-7-13(8-10-19)11-20(2)12-14-5-3-4-6-15(14)16(21)18-17/h3-6,13H,7-12,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide?
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide has a molecular weight of 290.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide is sourced from PubChem (CID 63574180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).