5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine

C18H36N2 — CID 64843204

IUPAC5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine
SMILESCCC1(CC)CNC(C(C)(C)C)CN1CC1CCCC1
InChIInChI=1S/C18H36N2/c1-6-18(7-2)14-19-16(17(3,4)5)13-20(18)12-15-10-8-9-11-15/h15-16,19H,6-14H2,1-5H3
InChIKeyWTNOENMBCCNBAF-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds4

About 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine

5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine (PubChem CID 64843204) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine
PubChem CID64843204
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine
SMILESCCC1(CC)CNC(C(C)(C)C)CN1CC1CCCC1
InChIInChI=1S/C18H36N2/c1-6-18(7-2)14-19-16(17(3,4)5)13-20(18)12-15-10-8-9-11-15/h15-16,19H,6-14H2,1-5H3
InChIKeyWTNOENMBCCNBAF-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine?
The IUPAC name of 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine (CID 64843204) is 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine is CCC1(CC)CNC(C(C)(C)C)CN1CC1CCCC1.
What is the InChIKey of 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine?
The InChIKey is WTNOENMBCCNBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-18(7-2)14-19-16(17(3,4)5)13-20(18)12-15-10-8-9-11-15/h15-16,19H,6-14H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine?
5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine is sourced from PubChem (CID 64843204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).