2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine

C18H28N2 — CID 64849483

IUPAC2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine
SMILESCCC1(C)CN(CC2CC2)C(Cc2ccccc2)CN1
InChIInChI=1S/C18H28N2/c1-3-18(2)14-20(13-16-9-10-16)17(12-19-18)11-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-14H2,1-2H3
InChIKeySRSDHFXXDADJAY-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds5

About 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine

2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine (PubChem CID 64849483) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine
PubChem CID64849483
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine
SMILESCCC1(C)CN(CC2CC2)C(Cc2ccccc2)CN1
InChIInChI=1S/C18H28N2/c1-3-18(2)14-20(13-16-9-10-16)17(12-19-18)11-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-14H2,1-2H3
InChIKeySRSDHFXXDADJAY-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1,5-diethyl-5-methylpiperazine
CID 64849482
2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64849486
2-benzyl-5-ethyl-5-methyl-1-(2-methylbutyl)piperazine
CID 64849839
2,5-diethyl-1-[(4-ethylcyclohexyl)methyl]-5-methylpiperazine
CID 64946947
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
5-ethyl-5-methyl-1-(3-phenylpropyl)-2-propylpiperazine
CID 64849061
1-(cyclobutylmethyl)-5-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 65463085
2-benzyl-5,5-diethyl-1-(2-methylpropyl)piperazine
CID 64861605
2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
CID 64840488
3-ethyl-3,7-dimethyl-1-(2-phenylethyl)-1,4-diazepane
CID 64871055
2,5-diethyl-5-methyl-1-(1-phenylpropan-2-yl)piperazine
CID 64941765
1-(cyclopentylmethyl)-2-ethyl-5-methyl-5-phenylpiperazine
CID 64861936

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine?
The IUPAC name of 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine (CID 64849483) is 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine.
What is the SMILES notation for 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine?
The canonical SMILES for 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine is CCC1(C)CN(CC2CC2)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine?
The InChIKey is SRSDHFXXDADJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-18(2)14-20(13-16-9-10-16)17(12-19-18)11-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-14H2,1-2H3.
What are the key properties of 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine?
2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine is sourced from PubChem (CID 64849483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).