1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine

C13H26N4 — CID 105260226

IUPAC1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine
SMILESCC#CCCC(CC1CN(C)CCN1C)NN
InChIInChI=1S/C13H26N4/c1-4-5-6-7-12(15-14)10-13-11-16(2)8-9-17(13)3/h12-13,15H,6-11,14H2,1-3H3
InChIKeySPZWRTHZLMLWSE-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.26
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine

1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine (PubChem CID 105260226) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine
PubChem CID105260226
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine
SMILESCC#CCCC(CC1CN(C)CCN1C)NN
InChIInChI=1S/C13H26N4/c1-4-5-6-7-12(15-14)10-13-11-16(2)8-9-17(13)3/h12-13,15H,6-11,14H2,1-3H3
InChIKeySPZWRTHZLMLWSE-UHFFFAOYSA-N
XLogP0.26
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)hex-5-yn-2-ylhydrazine
CID 105260180
1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
CID 104804190
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
CID 115415360
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
[1-(1,4-dimethylpiperazin-2-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105260267
[1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105260156
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
[1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260290
4-[3-(1,4-dimethylpiperazin-2-yl)-2-hydrazinylpropyl]pyridin-2-amine
CID 105260183
1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
[2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105260141

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine (CID 105260226) is 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine is CC#CCCC(CC1CN(C)CCN1C)NN.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine?
The InChIKey is SPZWRTHZLMLWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-5-6-7-12(15-14)10-13-11-16(2)8-9-17(13)3/h12-13,15H,6-11,14H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine?
1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine has a molecular weight of 238.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine is sourced from PubChem (CID 105260226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).