1-methyl-4-pent-4-ynylpiperazine

C10H18N2 — CID 23446116

IUPAC1-methyl-4-pent-4-ynylpiperazine
SMILESC#CCCCN1CCN(C)CC1
InChIInChI=1S/C10H18N2/c1-3-4-5-6-12-9-7-11(2)8-10-12/h1H,4-10H2,2H3
InChIKeyIRQWLKGRKSVZDX-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.65
Rot. Bonds3

About 1-methyl-4-pent-4-ynylpiperazine

1-methyl-4-pent-4-ynylpiperazine (PubChem CID 23446116) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-methyl-4-pent-4-ynylpiperazine.

Molecular Properties

Compound Name1-methyl-4-pent-4-ynylpiperazine
PubChem CID23446116
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-methyl-4-pent-4-ynylpiperazine
SMILESC#CCCCN1CCN(C)CC1
InChIInChI=1S/C10H18N2/c1-3-4-5-6-12-9-7-11(2)8-10-12/h1H,4-10H2,2H3
InChIKeyIRQWLKGRKSVZDX-UHFFFAOYSA-N
XLogP0.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pent-4-ynylpiperazine?
The IUPAC name of 1-methyl-4-pent-4-ynylpiperazine (CID 23446116) is 1-methyl-4-pent-4-ynylpiperazine.
What is the SMILES notation for 1-methyl-4-pent-4-ynylpiperazine?
The canonical SMILES for 1-methyl-4-pent-4-ynylpiperazine is C#CCCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-pent-4-ynylpiperazine?
The InChIKey is IRQWLKGRKSVZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-6-12-9-7-11(2)8-10-12/h1H,4-10H2,2H3.
What are the key properties of 1-methyl-4-pent-4-ynylpiperazine?
1-methyl-4-pent-4-ynylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pent-4-ynylpiperazine is sourced from PubChem (CID 23446116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).