ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine

C16H28N2 — CID 144929844

IUPACethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine
SMILESCC.CCN1C(C)CN(c2ccccc2)CC1C
InChIInChI=1S/C14H22N2.C2H6/c1-4-16-12(2)10-15(11-13(16)3)14-8-6-5-7-9-14;1-2/h5-9,12-13H,4,10-11H2,1-3H3;1-2H3
InChIKeyQHEVRHQDAFWIEQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.63
Rot. Bonds2

About ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine

ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine (PubChem CID 144929844) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine.

Molecular Properties

Compound Nameethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine
PubChem CID144929844
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Nameethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine
SMILESCC.CCN1C(C)CN(c2ccccc2)CC1C
InChIInChI=1S/C14H22N2.C2H6/c1-4-16-12(2)10-15(11-13(16)3)14-8-6-5-7-9-14;1-2/h5-9,12-13H,4,10-11H2,1-3H3;1-2H3
InChIKeyQHEVRHQDAFWIEQ-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylaniline
CID 949
Bamipine
CID 72075
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
Trimethylphenylammonium iodide
CID 94135
1-(2-Fluorophenyl)piperazine
CID 70529
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
Phenyltrimethylammonium chloride
CID 67309
N,N'-Diphenylethylenediamine
CID 67422

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine?
The IUPAC name of ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine (CID 144929844) is ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine.
What is the SMILES notation for ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine?
The canonical SMILES for ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine is CC.CCN1C(C)CN(c2ccccc2)CC1C.
What is the InChIKey of ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine?
The InChIKey is QHEVRHQDAFWIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C2H6/c1-4-16-12(2)10-15(11-13(16)3)14-8-6-5-7-9-14;1-2/h5-9,12-13H,4,10-11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine?
ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine has a molecular weight of 248.41 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2,6-dimethyl-4-phenylpiperazine is sourced from PubChem (CID 144929844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).