1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine

C17H34N2 — CID 65094925

IUPAC1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine
SMILESCC1CN(C2CCCC(C(C)(C)C)CC2)C(C)CN1
InChIInChI=1S/C17H34N2/c1-13-12-19(14(2)11-18-13)16-8-6-7-15(9-10-16)17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyUAWHLNJJZQFQJO-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.66
Rot. Bonds1

About 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine

1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine (PubChem CID 65094925) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine
PubChem CID65094925
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine
SMILESCC1CN(C2CCCC(C(C)(C)C)CC2)C(C)CN1
InChIInChI=1S/C17H34N2/c1-13-12-19(14(2)11-18-13)16-8-6-7-15(9-10-16)17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyUAWHLNJJZQFQJO-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine 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-cyclopropyl-2,5-dimethylpiperazine
CID 64954280
(2S,5S)-1-cyclopropyl-2,5-dimethylpiperazine;dihydrochloride
CID 162342302
2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
CID 65089178
2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
2,5-dimethyl-1-(oxepan-4-yl)piperazine
CID 65078858
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
2,5-dimethyl-1-(oxan-3-yl)piperazine
CID 64937625
1,4-ditert-butylcycloheptane
CID 58579546
2-tert-butyl-1-(3-methoxycyclohexyl)-5-methylpiperazine
CID 64844591
1-(4-tert-butylcycloheptyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383492
1-cyclohexyl-2-cyclopropyl-5-methylpiperazine
CID 82936330
1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine (CID 65094925) is 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine is CC1CN(C2CCCC(C(C)(C)C)CC2)C(C)CN1.
What is the InChIKey of 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine?
The InChIKey is UAWHLNJJZQFQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-12-19(14(2)11-18-13)16-8-6-7-15(9-10-16)17(3,4)5/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine?
1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine has a molecular weight of 266.47 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcycloheptyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 65094925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).