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

C12H26N4O — CID 79409445

IUPAC2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
SMILESCNCC1CCCN(C(C)C(C)C(=O)NN)C1
InChIInChI=1S/C12H26N4O/c1-9(12(17)15-13)10(2)16-6-4-5-11(8-16)7-14-3/h9-11,14H,4-8,13H2,1-3H3,(H,15,17)
InChIKeyHBRXGHSJZNWFPG-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.07
Rot. Bonds5

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

2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide (PubChem CID 79409445) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
PubChem CID79409445
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
SMILESCNCC1CCCN(C(C)C(C)C(=O)NN)C1
InChIInChI=1S/C12H26N4O/c1-9(12(17)15-13)10(2)16-6-4-5-11(8-16)7-14-3/h9-11,14H,4-8,13H2,1-3H3,(H,15,17)
InChIKeyHBRXGHSJZNWFPG-UHFFFAOYSA-N
XLogP-0.07
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.07
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

methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate
CID 79414420
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
CID 79413637
2-methyl-3-[3-(trifluoromethyl)piperidin-1-yl]butanehydrazide
CID 79408805
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
2-[3-(methylaminomethyl)piperidin-1-yl]butanamide
CID 62899302
2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 79408685
2-[1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)piperidin-4-yl]acetamide
CID 79409446
N-cyclopentyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide;hydrochloride
CID 119922095
2-(3-ethylpiperidin-1-yl)butanehydrazide
CID 63572940
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide?
The IUPAC name of 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide (CID 79409445) is 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide.
What is the SMILES notation for 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide?
The canonical SMILES for 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide is CNCC1CCCN(C(C)C(C)C(=O)NN)C1.
What is the InChIKey of 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide?
The InChIKey is HBRXGHSJZNWFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-9(12(17)15-13)10(2)16-6-4-5-11(8-16)7-14-3/h9-11,14H,4-8,13H2,1-3H3,(H,15,17).
What are the key properties of 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide?
2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide has a molecular weight of 242.37 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide is sourced from PubChem (CID 79409445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).