2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide

C14H28N4O — CID 63571373

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
SMILESCCC(C(=O)NN)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H28N4O/c1-2-13(14(19)16-15)18-10-6-12(7-11-18)17-8-4-3-5-9-17/h12-13H,2-11,15H2,1H3,(H,16,19)
InChIKeyNLJBGDYNOMJLQK-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.71
Rot. Bonds4

About 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide

2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide (PubChem CID 63571373) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
PubChem CID63571373
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide
SMILESCCC(C(=O)NN)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H28N4O/c1-2-13(14(19)16-15)18-10-6-12(7-11-18)17-8-4-3-5-9-17/h12-13H,2-11,15H2,1H3,(H,16,19)
InChIKeyNLJBGDYNOMJLQK-UHFFFAOYSA-N
XLogP0.71
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.71
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

ethyl (2R)-2-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]butanoate
CID 124776571
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
2-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980111
2-(3-piperidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170614
2-(4-acetylpiperazin-1-yl)butanehydrazide
CID 63568814
4-(4-piperidin-1-ylpiperidin-1-yl)pentanehydrazide
CID 63572847
2-(azocan-1-yl)pentanehydrazide
CID 83047792
3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 63573609
2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanehydrazide
CID 79408685
2-(3-ethylpiperidin-1-yl)butanehydrazide
CID 63572940
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanehydrazide
CID 83047814
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide (CID 63571373) is 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide is CCC(C(=O)NN)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide?
The InChIKey is NLJBGDYNOMJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-2-13(14(19)16-15)18-10-6-12(7-11-18)17-8-4-3-5-9-17/h12-13H,2-11,15H2,1H3,(H,16,19).
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide?
2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide has a molecular weight of 268.40 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)butanehydrazide is sourced from PubChem (CID 63571373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).