1-methyl-4-prop-2-ynylpiperazine;hydrobromide

C8H15BrN2 — CID 45261406

IUPAC1-methyl-4-prop-2-ynylpiperazine;hydrobromide
SMILESBr.C#CCN1CCN(C)CC1
InChIInChI=1S/C8H14N2.BrH/c1-3-4-10-7-5-9(2)6-8-10;/h1H,4-8H2,2H3;1H
InChIKeyTUYDNPRBWJLZFM-UHFFFAOYSA-N
MW219.13 g/mol
LogP0.44
Rot. Bonds1

About 1-methyl-4-prop-2-ynylpiperazine;hydrobromide

1-methyl-4-prop-2-ynylpiperazine;hydrobromide (PubChem CID 45261406) has the molecular formula C8H15BrN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is 1-methyl-4-prop-2-ynylpiperazine;hydrobromide.

Molecular Properties

Compound Name1-methyl-4-prop-2-ynylpiperazine;hydrobromide
PubChem CID45261406
Molecular FormulaC8H15BrN2
Molecular Weight219.13 g/mol
Exact Mass218.04
IUPAC Name1-methyl-4-prop-2-ynylpiperazine;hydrobromide
SMILESBr.C#CCN1CCN(C)CC1
InChIInChI=1S/C8H14N2.BrH/c1-3-4-10-7-5-9(2)6-8-10;/h1H,4-8H2,2H3;1H
InChIKeyTUYDNPRBWJLZFM-UHFFFAOYSA-N
XLogP0.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 50.44
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-methyl-4-prop-2-ynylpiperazine;hydrobromide?
The IUPAC name of 1-methyl-4-prop-2-ynylpiperazine;hydrobromide (CID 45261406) is 1-methyl-4-prop-2-ynylpiperazine;hydrobromide.
What is the SMILES notation for 1-methyl-4-prop-2-ynylpiperazine;hydrobromide?
The canonical SMILES for 1-methyl-4-prop-2-ynylpiperazine;hydrobromide is Br.C#CCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-prop-2-ynylpiperazine;hydrobromide?
The InChIKey is TUYDNPRBWJLZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.BrH/c1-3-4-10-7-5-9(2)6-8-10;/h1H,4-8H2,2H3;1H.
What are the key properties of 1-methyl-4-prop-2-ynylpiperazine;hydrobromide?
1-methyl-4-prop-2-ynylpiperazine;hydrobromide has a molecular weight of 219.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-ynylpiperazine;hydrobromide is sourced from PubChem (CID 45261406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).