2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine

C17H26N2 — CID 65461092

IUPAC2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine
SMILESCC1(C)CNCCN1C1CCCCc2ccccc21
InChIInChI=1S/C17H26N2/c1-17(2)13-18-11-12-19(17)16-10-6-4-8-14-7-3-5-9-15(14)16/h3,5,7,9,16,18H,4,6,8,10-13H2,1-2H3
InChIKeyDSPLSTAFVXIPJJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.14
Rot. Bonds1

About 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine

2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine (PubChem CID 65461092) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine
PubChem CID65461092
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine
SMILESCC1(C)CNCCN1C1CCCCc2ccccc21
InChIInChI=1S/C17H26N2/c1-17(2)13-18-11-12-19(17)16-10-6-4-8-14-7-3-5-9-15(14)16/h3,5,7,9,16,18H,4,6,8,10-13H2,1-2H3
InChIKeyDSPLSTAFVXIPJJ-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)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-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpiperazine
CID 81141956
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244157
3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine
CID 103983272
1-cyclopentyl-2-methyl-2-phenylpiperazine
CID 82936329
1-cycloheptyl-2,2-dimethylpiperazine
CID 65460692
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
2-ethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrrolidine-2-carboxylic acid
CID 83063730
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
1-(2,2-dimethylpiperazin-1-yl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114239067
4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938983

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine (CID 65461092) is 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine is CC1(C)CNCCN1C1CCCCc2ccccc21.
What is the InChIKey of 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine?
The InChIKey is DSPLSTAFVXIPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(2)13-18-11-12-19(17)16-10-6-4-8-14-7-3-5-9-15(14)16/h3,5,7,9,16,18H,4,6,8,10-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine?
2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine has a molecular weight of 258.41 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine is sourced from PubChem (CID 65461092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).