5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine

C18H30N2 — CID 64861186

IUPAC5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
SMILESCCC1(CC)CN(CCCc2ccccc2)C(C)CN1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)15-20(16(3)14-19-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,19H,4-5,9,12-15H2,1-3H3
InChIKeyQYOUHAQVTCMZQE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds6

About 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine

5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine (PubChem CID 64861186) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
PubChem CID64861186
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine
SMILESCCC1(CC)CN(CCCc2ccccc2)C(C)CN1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)15-20(16(3)14-19-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,19H,4-5,9,12-15H2,1-3H3
InChIKeyQYOUHAQVTCMZQE-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine (CID 64861186) is 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine is CCC1(CC)CN(CCCc2ccccc2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine?
The InChIKey is QYOUHAQVTCMZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-18(5-2)15-20(16(3)14-19-18)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,19H,4-5,9,12-15H2,1-3H3.
What are the key properties of 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine?
5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-methyl-1-(3-phenylpropyl)piperazine is sourced from PubChem (CID 64861186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).