1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine

C17H24N2 — CID 60799948

IUPAC1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine
SMILESCc1cc(C)c(C)c(C#CCN2CCNCC2)c1C
InChIInChI=1S/C17H24N2/c1-13-12-14(2)16(4)17(15(13)3)6-5-9-19-10-7-18-8-11-19/h12,18H,7-11H2,1-4H3
InChIKeyKNULQWJCYDRLSP-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.18
Rot. Bonds1

About 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine

1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine (PubChem CID 60799948) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine.

Molecular Properties

Compound Name1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine
PubChem CID60799948
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine
SMILESCc1cc(C)c(C)c(C#CCN2CCNCC2)c1C
InChIInChI=1S/C17H24N2/c1-13-12-14(2)16(4)17(15(13)3)6-5-9-19-10-7-18-8-11-19/h12,18H,7-11H2,1-4H3
InChIKeyKNULQWJCYDRLSP-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(5-fluoro-2-methylphenyl)prop-2-ynyl]piperazine
CID 60799773
1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 60802014
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 82302464
1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine
CID 63947780
1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 66022281
1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
CID 117269597
1-[3-(1,3-dihydro-2-benzofuran-5-yl)prop-2-ynyl]piperazine
CID 63019189
4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
CID 164648652
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
CID 82509242
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
1-(5,5-dimethylhex-2-ynyl)piperazine
CID 117269584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine?
The IUPAC name of 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine (CID 60799948) is 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine.
What is the SMILES notation for 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine?
The canonical SMILES for 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine is Cc1cc(C)c(C)c(C#CCN2CCNCC2)c1C.
What is the InChIKey of 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine?
The InChIKey is KNULQWJCYDRLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13-12-14(2)16(4)17(15(13)3)6-5-9-19-10-7-18-8-11-19/h12,18H,7-11H2,1-4H3.
What are the key properties of 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine?
1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine has a molecular weight of 256.39 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine is sourced from PubChem (CID 60799948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).