ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine

C18H32N2O — CID 154684379

IUPACethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine
SMILESCC.CCOCc1ccc(CN2CCN(CC)CC2)cc1
InChIInChI=1S/C16H26N2O.C2H6/c1-3-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14-19-4-2;1-2/h5-8H,3-4,9-14H2,1-2H3;1-2H3
InChIKeyOOEAKIHUWYSRNY-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.39
Rot. Bonds6

About ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine

ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine (PubChem CID 154684379) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Nameethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine
PubChem CID154684379
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Nameethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine
SMILESCC.CCOCc1ccc(CN2CCN(CC)CC2)cc1
InChIInChI=1S/C16H26N2O.C2H6/c1-3-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14-19-4-2;1-2/h5-8H,3-4,9-14H2,1-2H3;1-2H3
InChIKeyOOEAKIHUWYSRNY-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
CID 155582592
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine
CID 153390717
1,4-diethyl-7-[[4-(2-methylprop-2-enyl)phenyl]methyl]-1,4,7-triazonane;ethane
CID 176994919
N,N-diethyl-4-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 782564
[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid
CID 54971095
1-ethyl-4-[(4-isothiocyanatophenyl)methyl]piperazine
CID 22040836
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
1-(3-ethoxypropyl)-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111053394
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butan-1-amine
CID 112722208

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine?
The IUPAC name of ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine (CID 154684379) is ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine.
What is the SMILES notation for ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine?
The canonical SMILES for ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine is CC.CCOCc1ccc(CN2CCN(CC)CC2)cc1.
What is the InChIKey of ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine?
The InChIKey is OOEAKIHUWYSRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C2H6/c1-3-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14-19-4-2;1-2/h5-8H,3-4,9-14H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine?
ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine has a molecular weight of 292.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 154684379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).