1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine

C16H32N2 — CID 64939777

IUPAC1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1C1CCC(C)C1C
InChIInChI=1S/C16H32N2/c1-6-14-10-17-16(5,7-2)11-18(14)15-9-8-12(3)13(15)4/h12-15,17H,6-11H2,1-5H3
InChIKeyHIBZGBMYZSPQAE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine

1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine (PubChem CID 64939777) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine
PubChem CID64939777
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1C1CCC(C)C1C
InChIInChI=1S/C16H32N2/c1-6-14-10-17-16(5,7-2)11-18(14)15-9-8-12(3)13(15)4/h12-15,17H,6-11H2,1-5H3
InChIKeyHIBZGBMYZSPQAE-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine (CID 64939777) is 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine is CCC1CNC(C)(CC)CN1C1CCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine?
The InChIKey is HIBZGBMYZSPQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-14-10-17-16(5,7-2)11-18(14)15-9-8-12(3)13(15)4/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine?
1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 64939777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).