1-ethyl-4-(3-phenylbutyl)piperazine

C16H26N2 — CID 2846144

IUPAC1-ethyl-4-(3-phenylbutyl)piperazine
SMILESCCN1CCN(CCC(C)c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-3-17-11-13-18(14-12-17)10-9-15(2)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3
InChIKeyHSDUFMYTMWJGSD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds5

About 1-ethyl-4-(3-phenylbutyl)piperazine

1-ethyl-4-(3-phenylbutyl)piperazine (PubChem CID 2846144) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-ethyl-4-(3-phenylbutyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(3-phenylbutyl)piperazine
PubChem CID2846144
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-ethyl-4-(3-phenylbutyl)piperazine
SMILESCCN1CCN(CCC(C)c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-3-17-11-13-18(14-12-17)10-9-15(2)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3
InChIKeyHSDUFMYTMWJGSD-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-phenylbutyl)piperazine?
The IUPAC name of 1-ethyl-4-(3-phenylbutyl)piperazine (CID 2846144) is 1-ethyl-4-(3-phenylbutyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(3-phenylbutyl)piperazine?
The canonical SMILES for 1-ethyl-4-(3-phenylbutyl)piperazine is CCN1CCN(CCC(C)c2ccccc2)CC1.
What is the InChIKey of 1-ethyl-4-(3-phenylbutyl)piperazine?
The InChIKey is HSDUFMYTMWJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-11-13-18(14-12-17)10-9-15(2)16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-phenylbutyl)piperazine?
1-ethyl-4-(3-phenylbutyl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-phenylbutyl)piperazine is sourced from PubChem (CID 2846144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).