5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine

C18H36N2 — CID 107415561

IUPAC5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(CC2CCC(C)C2)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-6-18(7-2)13-20(17(11-19-18)14(3)4)12-16-9-8-15(5)10-16/h14-17,19H,6-13H2,1-5H3
InChIKeyWGTJMCRJTIAHKE-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds5

About 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine

5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 107415561) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
PubChem CID107415561
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(CC2CCC(C)C2)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-6-18(7-2)13-20(17(11-19-18)14(3)4)12-16-9-8-15(5)10-16/h14-17,19H,6-13H2,1-5H3
InChIKeyWGTJMCRJTIAHKE-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine (CID 107415561) is 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine is CCC1(CC)CN(CC2CCC(C)C2)C(C(C)C)CN1.
What is the InChIKey of 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is WGTJMCRJTIAHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-18(7-2)13-20(17(11-19-18)14(3)4)12-16-9-8-15(5)10-16/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine?
5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 107415561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).