ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine

C19H34N2 — CID 176934415

IUPACethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine
SMILESCC.CCc1cccc(N2CCN(CCC(C)C)CC2)c1
InChIInChI=1S/C17H28N2.C2H6/c1-4-16-6-5-7-17(14-16)19-12-10-18(11-13-19)9-8-15(2)3;1-2/h5-7,14-15H,4,8-13H2,1-3H3;1-2H3
InChIKeyRWRXQNMAIJJTNF-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.44
Rot. Bonds5

About ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine

ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine (PubChem CID 176934415) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine.

Molecular Properties

Compound Nameethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine
PubChem CID176934415
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Nameethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine
SMILESCC.CCc1cccc(N2CCN(CCC(C)C)CC2)c1
InChIInChI=1S/C17H28N2.C2H6/c1-4-16-6-5-7-17(14-16)19-12-10-18(11-13-19)9-8-15(2)3;1-2/h5-7,14-15H,4,8-13H2,1-3H3;1-2H3
InChIKeyRWRXQNMAIJJTNF-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
1-(3-ethylphenyl)-3,3-difluoroazetidine
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1-(2-ethyl-1-benzothiophen-6-yl)-4-(3-methylbutyl)piperazine
CID 176934894
1-(3-ethylphenyl)piperazine;hydrochloride
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1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione
CID 143169930
4-(3-ethylphenyl)-1-hydroxy-1-methylpiperazin-1-ium
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1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
(2R,6R)-4-(3-ethylphenyl)-2,6-dimethylmorpholine
CID 165121156

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine?
The IUPAC name of ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine (CID 176934415) is ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine.
What is the SMILES notation for ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine?
The canonical SMILES for ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine is CC.CCc1cccc(N2CCN(CCC(C)C)CC2)c1.
What is the InChIKey of ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine?
The InChIKey is RWRXQNMAIJJTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C2H6/c1-4-16-6-5-7-17(14-16)19-12-10-18(11-13-19)9-8-15(2)3;1-2/h5-7,14-15H,4,8-13H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine?
ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine has a molecular weight of 290.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine is sourced from PubChem (CID 176934415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).