ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine

C17H30N2O — CID 155582592

IUPACethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
SMILESCC.CCN1CCN(Cc2ccc(COC)cc2)CC1
InChIInChI=1S/C15H24N2O.C2H6/c1-3-16-8-10-17(11-9-16)12-14-4-6-15(7-5-14)13-18-2;1-2/h4-7H,3,8-13H2,1-2H3;1-2H3
InChIKeyDGVJWZJWKOOAIS-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds5

About ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine

ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine (PubChem CID 155582592) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Nameethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
PubChem CID155582592
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Nameethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
SMILESCC.CCN1CCN(Cc2ccc(COC)cc2)CC1
InChIInChI=1S/C15H24N2O.C2H6/c1-3-16-8-10-17(11-9-16)12-14-4-6-15(7-5-14)13-18-2;1-2/h4-7H,3,8-13H2,1-2H3;1-2H3
InChIKeyDGVJWZJWKOOAIS-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[[4-(ethoxymethyl)phenyl]methyl]-4-ethylpiperazine
CID 154684379
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-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
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-ethyl-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(3-methoxypropyl)guanidine
CID 110973499
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine?
The IUPAC name of ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine (CID 155582592) is ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine.
What is the SMILES notation for ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine?
The canonical SMILES for ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine is CC.CCN1CCN(Cc2ccc(COC)cc2)CC1.
What is the InChIKey of ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine?
The InChIKey is DGVJWZJWKOOAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C2H6/c1-3-16-8-10-17(11-9-16)12-14-4-6-15(7-5-14)13-18-2;1-2/h4-7H,3,8-13H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine?
ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine has a molecular weight of 278.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 155582592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).