2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide

C16H26N4O — CID 115465497

IUPAC2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
SMILESCNCC1CCCN(Cc2ccccc2CC(=O)NN)C1
InChIInChI=1S/C16H26N4O/c1-18-10-13-5-4-8-20(11-13)12-15-7-3-2-6-14(15)9-16(21)19-17/h2-3,6-7,13,18H,4-5,8-12,17H2,1H3,(H,19,21)
InChIKeyURFUZMZGAJVCMK-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.65
Rot. Bonds6

About 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide

2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide (PubChem CID 115465497) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
PubChem CID115465497
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
SMILESCNCC1CCCN(Cc2ccccc2CC(=O)NN)C1
InChIInChI=1S/C16H26N4O/c1-18-10-13-5-4-8-20(11-13)12-15-7-3-2-6-14(15)9-16(21)19-17/h2-3,6-7,13,18H,4-5,8-12,17H2,1H3,(H,19,21)
InChIKeyURFUZMZGAJVCMK-UHFFFAOYSA-N
XLogP0.65
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.65
H-Bond Donors ≤ 53
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-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314918
2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465501
5-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 80733651
4-fluoro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzoic acid
CID 107452216
3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 114484796
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
2-[2-[(2-ethylmorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 115465353
5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]-1,2-oxazole-3-carbohydrazide
CID 63577918
2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]acetohydrazide
CID 115465539
4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 61205073

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide (CID 115465497) is 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide is CNCC1CCCN(Cc2ccccc2CC(=O)NN)C1.
What is the InChIKey of 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide?
The InChIKey is URFUZMZGAJVCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-10-13-5-4-8-20(11-13)12-15-7-3-2-6-14(15)9-16(21)19-17/h2-3,6-7,13,18H,4-5,8-12,17H2,1H3,(H,19,21).
What are the key properties of 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide?
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide has a molecular weight of 290.41 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).