3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide

C12H26N4O — CID 55213277

IUPAC3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide
SMILESCCN1CCC(N(C)C(C)CC(=O)NN)CC1
InChIInChI=1S/C12H26N4O/c1-4-16-7-5-11(6-8-16)15(3)10(2)9-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyCHJUOLQJHWEFCZ-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.17
Rot. Bonds5

About 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide

3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide (PubChem CID 55213277) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide
PubChem CID55213277
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide
SMILESCCN1CCC(N(C)C(C)CC(=O)NN)CC1
InChIInChI=1S/C12H26N4O/c1-4-16-7-5-11(6-8-16)15(3)10(2)9-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyCHJUOLQJHWEFCZ-UHFFFAOYSA-N
XLogP0.17
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.17
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

3-[(1,1-dioxothiolan-3-yl)-methylamino]butanehydrazide
CID 63574276
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62436873
ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate
CID 83040877
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659
2-(4-aminopiperidin-1-yl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814367
3-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
N-cyclopropyl-2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]acetamide
CID 63582922
1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436193
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 55087320
N-(1-ethylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119841958
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 64896459

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide (CID 55213277) is 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide is CCN1CCC(N(C)C(C)CC(=O)NN)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide?
The InChIKey is CHJUOLQJHWEFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-4-16-7-5-11(6-8-16)15(3)10(2)9-12(17)14-13/h10-11H,4-9,13H2,1-3H3,(H,14,17).
What are the key properties of 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide?
3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide has a molecular weight of 242.37 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide is sourced from PubChem (CID 55213277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).