3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide

C13H28N4O — CID 55213284

IUPAC3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide
SMILESCCCN(C1CCNCC1)C(C(=O)NN)C(C)C
InChIInChI=1S/C13H28N4O/c1-4-9-17(11-5-7-15-8-6-11)12(10(2)3)13(18)16-14/h10-12,15H,4-9,14H2,1-3H3,(H,16,18)
InChIKeySWEJLEWWDTTWPD-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.46
Rot. Bonds6

About 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide

3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide (PubChem CID 55213284) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide
PubChem CID55213284
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide
SMILESCCCN(C1CCNCC1)C(C(=O)NN)C(C)C
InChIInChI=1S/C13H28N4O/c1-4-9-17(11-5-7-15-8-6-11)12(10(2)3)13(18)16-14/h10-12,15H,4-9,14H2,1-3H3,(H,16,18)
InChIKeySWEJLEWWDTTWPD-UHFFFAOYSA-N
XLogP0.46
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide?
The IUPAC name of 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide (CID 55213284) is 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide.
What is the SMILES notation for 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide?
The canonical SMILES for 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide is CCCN(C1CCNCC1)C(C(=O)NN)C(C)C.
What is the InChIKey of 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide?
The InChIKey is SWEJLEWWDTTWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-9-17(11-5-7-15-8-6-11)12(10(2)3)13(18)16-14/h10-12,15H,4-9,14H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide?
3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide has a molecular weight of 256.39 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[piperidin-4-yl(propyl)amino]butanehydrazide is sourced from PubChem (CID 55213284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).