3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

C18H31N3 — CID 64947268

IUPAC3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCCC1CNC(c2ccccc2)CN1C(C)CCN(C)C
InChIInChI=1S/C18H31N3/c1-5-17-13-19-18(16-9-7-6-8-10-16)14-21(17)15(2)11-12-20(3)4/h6-10,15,17-19H,5,11-14H2,1-4H3
InChIKeyXRJZSTZDHZJBKK-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.75
Rot. Bonds6

About 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine

3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 64947268) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID64947268
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
SMILESCCC1CNC(c2ccccc2)CN1C(C)CCN(C)C
InChIInChI=1S/C18H31N3/c1-5-17-13-19-18(16-9-7-6-8-10-16)14-21(17)15(2)11-12-20(3)4/h6-10,15,17-19H,5,11-14H2,1-4H3
InChIKeyXRJZSTZDHZJBKK-UHFFFAOYSA-N
XLogP2.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine (CID 64947268) is 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is CCC1CNC(c2ccccc2)CN1C(C)CCN(C)C.
What is the InChIKey of 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is XRJZSTZDHZJBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-17-13-19-18(16-9-7-6-8-10-16)14-21(17)15(2)11-12-20(3)4/h6-10,15,17-19H,5,11-14H2,1-4H3.
What are the key properties of 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine?
3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-phenylpiperazin-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 64947268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).