1-but-3-ynyl-3,3-dimethylpiperazine

C10H18N2 — CID 64952635

IUPAC1-but-3-ynyl-3,3-dimethylpiperazine
SMILESC#CCCN1CCNC(C)(C)C1
InChIInChI=1S/C10H18N2/c1-4-5-7-12-8-6-11-10(2,3)9-12/h1,11H,5-9H2,2-3H3
InChIKeyPXECSDGQOHJTKH-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds2

About 1-but-3-ynyl-3,3-dimethylpiperazine

1-but-3-ynyl-3,3-dimethylpiperazine (PubChem CID 64952635) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-but-3-ynyl-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-but-3-ynyl-3,3-dimethylpiperazine
PubChem CID64952635
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-but-3-ynyl-3,3-dimethylpiperazine
SMILESC#CCCN1CCNC(C)(C)C1
InChIInChI=1S/C10H18N2/c1-4-5-7-12-8-6-11-10(2,3)9-12/h1,11H,5-9H2,2-3H3
InChIKeyPXECSDGQOHJTKH-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-3,3-dimethylpiperazine?
The IUPAC name of 1-but-3-ynyl-3,3-dimethylpiperazine (CID 64952635) is 1-but-3-ynyl-3,3-dimethylpiperazine.
What is the SMILES notation for 1-but-3-ynyl-3,3-dimethylpiperazine?
The canonical SMILES for 1-but-3-ynyl-3,3-dimethylpiperazine is C#CCCN1CCNC(C)(C)C1.
What is the InChIKey of 1-but-3-ynyl-3,3-dimethylpiperazine?
The InChIKey is PXECSDGQOHJTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-7-12-8-6-11-10(2,3)9-12/h1,11H,5-9H2,2-3H3.
What are the key properties of 1-but-3-ynyl-3,3-dimethylpiperazine?
1-but-3-ynyl-3,3-dimethylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-3,3-dimethylpiperazine is sourced from PubChem (CID 64952635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).