2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine

C18H36N2 — CID 82937020

IUPAC2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(C2CCCCCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H36N2/c1-14(2)16-13-20(15-10-8-6-7-9-11-15)17(12-19-16)18(3,4)5/h14-17,19H,6-13H2,1-5H3
InChIKeyDEJPYZYEXBIRBT-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds2

About 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine

2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine (PubChem CID 82937020) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine
PubChem CID82937020
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(C2CCCCCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H36N2/c1-14(2)16-13-20(15-10-8-6-7-9-11-15)17(12-19-16)18(3,4)5/h14-17,19H,6-13H2,1-5H3
InChIKeyDEJPYZYEXBIRBT-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
2,5-ditert-butyl-1-cyclohexylpiperazine
CID 82937382
1-cyclohexyl-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 79014864
2-tert-butyl-1-cyclohexyl-5-propylpiperazine
CID 82936428
2-tert-butyl-1-(cyclobutylmethyl)-5-propan-2-ylpiperazine
CID 65461068
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463
2-tert-butyl-1-cyclopentylpiperazine
CID 82936671
2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine
CID 82936936
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
2-tert-butyl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64838851
2-cyclohexyl-1-methyl-5-propan-2-ylpiperazine
CID 64840220
2-tert-butyl-1-[(5-methyloxolan-2-yl)methyl]-5-propan-2-ylpiperazine
CID 103141252

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine?
The IUPAC name of 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine (CID 82937020) is 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine?
The canonical SMILES for 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine is CC(C)C1CN(C2CCCCCC2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine?
The InChIKey is DEJPYZYEXBIRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)16-13-20(15-10-8-6-7-9-11-15)17(12-19-16)18(3,4)5/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine?
2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 82937020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).