2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine

C18H36N2 — CID 64861206

IUPAC2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CC1CCCC1
InChIInChI=1S/C18H36N2/c1-5-15(4)17-12-19-18(6-2,7-3)14-20(17)13-16-10-8-9-11-16/h15-17,19H,5-14H2,1-4H3
InChIKeyFEXPFFBUVRBWGK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine

2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine (PubChem CID 64861206) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
PubChem CID64861206
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
SMILESCCC(C)C1CNC(CC)(CC)CN1CC1CCCC1
InChIInChI=1S/C18H36N2/c1-5-15(4)17-12-19-18(6-2,7-3)14-20(17)13-16-10-8-9-11-16/h15-17,19H,5-14H2,1-4H3
InChIKeyFEXPFFBUVRBWGK-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine (CID 64861206) is 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine is CCC(C)C1CNC(CC)(CC)CN1CC1CCCC1.
What is the InChIKey of 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine?
The InChIKey is FEXPFFBUVRBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-15(4)17-12-19-18(6-2,7-3)14-20(17)13-16-10-8-9-11-16/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine?
2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine is sourced from PubChem (CID 64861206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).