4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide

C14H30N4O2 — CID 171559201

IUPAC4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide
SMILESCC(C)CN1CCN(C=O)CC1.CCCCC(=O)NN
InChIInChI=1S/C9H18N2O.C5H12N2O/c1-9(2)7-10-3-5-11(8-12)6-4-10;1-2-3-4-5(8)7-6/h8-9H,3-7H2,1-2H3;2-4,6H2,1H3,(H,7,8)
InChIKeyXBBTUSSBOHKASC-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.58
Rot. Bonds6

About 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide

4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide (PubChem CID 171559201) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide.

Molecular Properties

Compound Name4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide
PubChem CID171559201
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide
SMILESCC(C)CN1CCN(C=O)CC1.CCCCC(=O)NN
InChIInChI=1S/C9H18N2O.C5H12N2O/c1-9(2)7-10-3-5-11(8-12)6-4-10;1-2-3-4-5(8)7-6/h8-9H,3-7H2,1-2H3;2-4,6H2,1H3,(H,7,8)
InChIKeyXBBTUSSBOHKASC-UHFFFAOYSA-N
XLogP0.58
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylpropanoyl)piperidine-4-carbohydrazide
CID 43244737
1-(2-Amino-2-methylpropanoyl)piperidine-4-carbohydrazide
CID 67520038
N'-(2-piperidin-1-ylacetyl)pentanehydrazide
CID 91481211
1-(2-Methylpropanoyl)piperidine-2-carbohydrazide
CID 118566361
5-(4-Formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide
CID 134268874
N'-[2-(4-methylpiperazin-1-yl)acetyl]pentanehydrazide
CID 153722538
3-[4-(4-Methylpentyl)piperazin-1-yl]-3-oxopropanehydrazide
CID 168749124
2-Methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 168749134
N-(4-formylpiperazin-1-yl)-2-methylpropanamide
CID 170106801
4-[4-(2-Methylpropyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 2759390
5-Oxo-5-piperazin-1-ylpentanehydrazide
CID 2760267
4-(4-Acetylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4739853

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide?
The IUPAC name of 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide (CID 171559201) is 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide.
What is the SMILES notation for 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide?
The canonical SMILES for 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide is CC(C)CN1CCN(C=O)CC1.CCCCC(=O)NN.
What is the InChIKey of 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide?
The InChIKey is XBBTUSSBOHKASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C5H12N2O/c1-9(2)7-10-3-5-11(8-12)6-4-10;1-2-3-4-5(8)7-6/h8-9H,3-7H2,1-2H3;2-4,6H2,1H3,(H,7,8).
What are the key properties of 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide?
4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide has a molecular weight of 286.42 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide is sourced from PubChem (CID 171559201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).