2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine

C18H30N2 — CID 64939440

IUPAC2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
SMILESCCC1CNC(c2ccccc2)CN1CCCC(C)C
InChIInChI=1S/C18H30N2/c1-4-17-13-19-18(16-10-6-5-7-11-16)14-20(17)12-8-9-15(2)3/h5-7,10-11,15,17-19H,4,8-9,12-14H2,1-3H3
InChIKeyNAOQDNWAJLOIFE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds6

About 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine

2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine (PubChem CID 64939440) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
PubChem CID64939440
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
SMILESCCC1CNC(c2ccccc2)CN1CCCC(C)C
InChIInChI=1S/C18H30N2/c1-4-17-13-19-18(16-10-6-5-7-11-16)14-20(17)12-8-9-15(2)3/h5-7,10-11,15,17-19H,4,8-9,12-14H2,1-3H3
InChIKeyNAOQDNWAJLOIFE-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine?
The IUPAC name of 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine (CID 64939440) is 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine.
What is the SMILES notation for 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine?
The canonical SMILES for 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine is CCC1CNC(c2ccccc2)CN1CCCC(C)C.
What is the InChIKey of 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine?
The InChIKey is NAOQDNWAJLOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-17-13-19-18(16-10-6-5-7-11-16)14-20(17)12-8-9-15(2)3/h5-7,10-11,15,17-19H,4,8-9,12-14H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine?
2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine is sourced from PubChem (CID 64939440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).