1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine

C19H30N2 — CID 79871083

IUPAC1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine
SMILESCCC1CN(C2CCCC2(C)C)C(c2ccccc2)CN1
InChIInChI=1S/C19H30N2/c1-4-16-14-21(18-11-8-12-19(18,2)3)17(13-20-16)15-9-6-5-7-10-15/h5-7,9-10,16-18,20H,4,8,11-14H2,1-3H3
InChIKeyGJRIMKWJVVPYRI-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.99
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine

1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine (PubChem CID 79871083) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine
PubChem CID79871083
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine
SMILESCCC1CN(C2CCCC2(C)C)C(c2ccccc2)CN1
InChIInChI=1S/C19H30N2/c1-4-16-14-21(18-11-8-12-19(18,2)3)17(13-20-16)15-9-6-5-7-10-15/h5-7,9-10,16-18,20H,4,8,11-14H2,1-3H3
InChIKeyGJRIMKWJVVPYRI-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine (CID 79871083) is 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine is CCC1CN(C2CCCC2(C)C)C(c2ccccc2)CN1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine?
The InChIKey is GJRIMKWJVVPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-16-14-21(18-11-8-12-19(18,2)3)17(13-20-16)15-9-6-5-7-10-15/h5-7,9-10,16-18,20H,4,8,11-14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine?
1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-5-ethyl-2-phenylpiperazine is sourced from PubChem (CID 79871083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).