2,6-dimethyl-1-prop-2-ynylpiperazine

C9H16N2 — CID 63911212

IUPAC2,6-dimethyl-1-prop-2-ynylpiperazine
SMILESC#CCN1C(C)CNCC1C
InChIInChI=1S/C9H16N2/c1-4-5-11-8(2)6-10-7-9(11)3/h1,8-10H,5-7H2,2-3H3
InChIKeyKNBFPPAWMAWKKR-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.30
Rot. Bonds1

About 2,6-dimethyl-1-prop-2-ynylpiperazine

2,6-dimethyl-1-prop-2-ynylpiperazine (PubChem CID 63911212) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,6-dimethyl-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Name2,6-dimethyl-1-prop-2-ynylpiperazine
PubChem CID63911212
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,6-dimethyl-1-prop-2-ynylpiperazine
SMILESC#CCN1C(C)CNCC1C
InChIInChI=1S/C9H16N2/c1-4-5-11-8(2)6-10-7-9(11)3/h1,8-10H,5-7H2,2-3H3
InChIKeyKNBFPPAWMAWKKR-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.30
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 2,6-dimethyl-1-prop-2-ynylpiperazine?
The IUPAC name of 2,6-dimethyl-1-prop-2-ynylpiperazine (CID 63911212) is 2,6-dimethyl-1-prop-2-ynylpiperazine.
What is the SMILES notation for 2,6-dimethyl-1-prop-2-ynylpiperazine?
The canonical SMILES for 2,6-dimethyl-1-prop-2-ynylpiperazine is C#CCN1C(C)CNCC1C.
What is the InChIKey of 2,6-dimethyl-1-prop-2-ynylpiperazine?
The InChIKey is KNBFPPAWMAWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-11-8(2)6-10-7-9(11)3/h1,8-10H,5-7H2,2-3H3.
What are the key properties of 2,6-dimethyl-1-prop-2-ynylpiperazine?
2,6-dimethyl-1-prop-2-ynylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-prop-2-ynylpiperazine is sourced from PubChem (CID 63911212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).