3,3-diethyl-1-(4-phenylbutyl)piperazine

C18H30N2 — CID 114334897

IUPAC3,3-diethyl-1-(4-phenylbutyl)piperazine
SMILESCCC1(CC)CN(CCCCc2ccccc2)CCN1
InChIInChI=1S/C18H30N2/c1-3-18(4-2)16-20(15-13-19-18)14-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,19H,3-4,8-9,12-16H2,1-2H3
InChIKeyZTZHMUWOFWRGHU-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds7

About 3,3-diethyl-1-(4-phenylbutyl)piperazine

3,3-diethyl-1-(4-phenylbutyl)piperazine (PubChem CID 114334897) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-phenylbutyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(4-phenylbutyl)piperazine
PubChem CID114334897
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3,3-diethyl-1-(4-phenylbutyl)piperazine
SMILESCCC1(CC)CN(CCCCc2ccccc2)CCN1
InChIInChI=1S/C18H30N2/c1-3-18(4-2)16-20(15-13-19-18)14-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,19H,3-4,8-9,12-16H2,1-2H3
InChIKeyZTZHMUWOFWRGHU-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-phenylbutyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(4-phenylbutyl)piperazine (CID 114334897) is 3,3-diethyl-1-(4-phenylbutyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(4-phenylbutyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(4-phenylbutyl)piperazine is CCC1(CC)CN(CCCCc2ccccc2)CCN1.
What is the InChIKey of 3,3-diethyl-1-(4-phenylbutyl)piperazine?
The InChIKey is ZTZHMUWOFWRGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-18(4-2)16-20(15-13-19-18)14-9-8-12-17-10-6-5-7-11-17/h5-7,10-11,19H,3-4,8-9,12-16H2,1-2H3.
What are the key properties of 3,3-diethyl-1-(4-phenylbutyl)piperazine?
3,3-diethyl-1-(4-phenylbutyl)piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-phenylbutyl)piperazine is sourced from PubChem (CID 114334897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).