1-but-2-ynyl-2,2,4-trimethylpiperazine

C11H20N2 — CID 130683773

IUPAC1-but-2-ynyl-2,2,4-trimethylpiperazine
SMILESCC#CCN1CCN(C)CC1(C)C
InChIInChI=1S/C11H20N2/c1-5-6-7-13-9-8-12(4)10-11(13,2)3/h7-10H2,1-4H3
InChIKeyBGGFSTLAXHDQKJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.04
Rot. Bonds1

About 1-but-2-ynyl-2,2,4-trimethylpiperazine

1-but-2-ynyl-2,2,4-trimethylpiperazine (PubChem CID 130683773) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-but-2-ynyl-2,2,4-trimethylpiperazine.

Molecular Properties

Compound Name1-but-2-ynyl-2,2,4-trimethylpiperazine
PubChem CID130683773
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-but-2-ynyl-2,2,4-trimethylpiperazine
SMILESCC#CCN1CCN(C)CC1(C)C
InChIInChI=1S/C11H20N2/c1-5-6-7-13-9-8-12(4)10-11(13,2)3/h7-10H2,1-4H3
InChIKeyBGGFSTLAXHDQKJ-UHFFFAOYSA-N
XLogP1.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoropropyl)-2,2,4-trimethylpiperazine
CID 130693360
4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid
CID 57258120
ethane;2,2,4-trimethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170616900
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
4-[(2,2,4-trimethylpiperazin-1-yl)methyl]benzoic acid
CID 122029124
2-[(14R)-4-(cyanomethyl)-5,5,7,12,12,14-hexamethyl-1,4,7,11-tetrazacyclotetradec-1-yl]acetonitrile
CID 132555640
2,2,4-trimethyl-1-propan-2-ylpiperazine
CID 121368614
1-methyl-4-pent-3-ynylpiperazine
CID 126973229
1-(4-but-2-ynylpiperazin-1-yl)sulfonyl-4-methylpiperazine
CID 71999965
5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120900644
2-(4-but-2-ynylpiperazin-1-yl)ethanol
CID 62310008
1-hex-4-ynyl-4-methylpiperazine
CID 143413129

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynyl-2,2,4-trimethylpiperazine?
The IUPAC name of 1-but-2-ynyl-2,2,4-trimethylpiperazine (CID 130683773) is 1-but-2-ynyl-2,2,4-trimethylpiperazine.
What is the SMILES notation for 1-but-2-ynyl-2,2,4-trimethylpiperazine?
The canonical SMILES for 1-but-2-ynyl-2,2,4-trimethylpiperazine is CC#CCN1CCN(C)CC1(C)C.
What is the InChIKey of 1-but-2-ynyl-2,2,4-trimethylpiperazine?
The InChIKey is BGGFSTLAXHDQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-6-7-13-9-8-12(4)10-11(13,2)3/h7-10H2,1-4H3.
What are the key properties of 1-but-2-ynyl-2,2,4-trimethylpiperazine?
1-but-2-ynyl-2,2,4-trimethylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynyl-2,2,4-trimethylpiperazine is sourced from PubChem (CID 130683773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).