1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine

C12H22N2 — CID 170992966

IUPAC1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine
SMILESC#CC(CC)(CC)N1CCN(C)CC1
InChIInChI=1S/C12H22N2/c1-5-12(6-2,7-3)14-10-8-13(4)9-11-14/h1H,6-11H2,2-4H3
InChIKeyPNRVBALOMMPNOK-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.43
Rot. Bonds3

About 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine

1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine (PubChem CID 170992966) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine
PubChem CID170992966
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine
SMILESC#CC(CC)(CC)N1CCN(C)CC1
InChIInChI=1S/C12H22N2/c1-5-12(6-2,7-3)14-10-8-13(4)9-11-14/h1H,6-11H2,2-4H3
InChIKeyPNRVBALOMMPNOK-UHFFFAOYSA-N
XLogP1.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
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-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine (CID 170992966) is 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine is C#CC(CC)(CC)N1CCN(C)CC1.
What is the InChIKey of 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine?
The InChIKey is PNRVBALOMMPNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-12(6-2,7-3)14-10-8-13(4)9-11-14/h1H,6-11H2,2-4H3.
What are the key properties of 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine?
1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpent-1-yn-3-yl)-4-methylpiperazine is sourced from PubChem (CID 170992966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).