2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine

C17H34N2 — CID 82936936

IUPAC2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(C2CCCCCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H34N2/c1-16(2,3)15-12-18-17(4,5)13-19(15)14-10-8-6-7-9-11-14/h14-15,18H,6-13H2,1-5H3
InChIKeyNIIVBTHWLBHDIY-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds1

About 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine

2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine (PubChem CID 82936936) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine
PubChem CID82936936
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(C2CCCCCC2)C(C(C)(C)C)CN1
InChIInChI=1S/C17H34N2/c1-16(2,3)15-12-18-17(4,5)13-19(15)14-10-8-6-7-9-11-14/h14-15,18H,6-13H2,1-5H3
InChIKeyNIIVBTHWLBHDIY-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-cyclopropyl-5,5-dimethylpiperazine
CID 82936766
1-cycloheptyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 82936683
2,5-ditert-butyl-1-cyclohexylpiperazine
CID 82937382
2-tert-butyl-1-cyclopentylpiperazine
CID 82936671
2-tert-butyl-1-cycloheptyl-5-propan-2-ylpiperazine
CID 82937020
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
2-tert-butyl-1-cyclohexyl-5-propylpiperazine
CID 82936428
4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide
CID 64933302
2-tert-butyl-1-cyclopentylpiperidine
CID 58564040
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315
2-ethyl-5,5-dimethyl-1-(4-methylcyclohexyl)piperazine
CID 64932642
1-cyclohexyl-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 82936865

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine?
The IUPAC name of 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine (CID 82936936) is 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine?
The canonical SMILES for 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine is CC1(C)CN(C2CCCCCC2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine?
The InChIKey is NIIVBTHWLBHDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2,3)15-12-18-17(4,5)13-19(15)14-10-8-6-7-9-11-14/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine?
2-tert-butyl-1-cycloheptyl-5,5-dimethylpiperazine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 1 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-5,5-dimethylpiperazine is sourced from PubChem (CID 82936936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).