1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine

C12H20N2 — CID 88957770

IUPAC1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine
SMILESC#C/C=C(/C)CC(C)N1CCNCC1
InChIInChI=1S/C12H20N2/c1-4-5-11(2)10-12(3)14-8-6-13-7-9-14/h1,5,12-13H,6-10H2,2-3H3/b11-5-
InChIKeyMBPGEUDZKLVGPB-WZUFQYTHSA-N
MW192.31 g/mol
LogP1.25
Rot. Bonds3

About 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine

1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine (PubChem CID 88957770) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine.

Molecular Properties

Compound Name1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine
PubChem CID88957770
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine
SMILESC#C/C=C(/C)CC(C)N1CCNCC1
InChIInChI=1S/C12H20N2/c1-4-5-11(2)10-12(3)14-8-6-13-7-9-14/h1,5,12-13H,6-10H2,2-3H3/b11-5-
InChIKeyMBPGEUDZKLVGPB-WZUFQYTHSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
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4-(2-pyrrolidin-1-ylpropyl)piperidine
CID 105450292
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
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CID 84606772
N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
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CID 116913942

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine?
The IUPAC name of 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine (CID 88957770) is 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine.
What is the SMILES notation for 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine?
The canonical SMILES for 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine is C#C/C=C(/C)CC(C)N1CCNCC1.
What is the InChIKey of 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine?
The InChIKey is MBPGEUDZKLVGPB-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-5-11(2)10-12(3)14-8-6-13-7-9-14/h1,5,12-13H,6-10H2,2-3H3/b11-5-.
What are the key properties of 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine?
1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine has a molecular weight of 192.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-methylhept-4-en-6-yn-2-yl]piperazine is sourced from PubChem (CID 88957770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).