ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine

C16H28N2O — CID 144540102

IUPACethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
SMILESCC.COc1ccc(C)cc1CN1CCN(C)CC1
InChIInChI=1S/C14H22N2O.C2H6/c1-12-4-5-14(17-3)13(10-12)11-16-8-6-15(2)7-9-16;1-2/h4-5,10H,6-9,11H2,1-3H3;1-2H3
InChIKeyANSPGWGYCMBHTC-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.78
Rot. Bonds3

About ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine

ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine (PubChem CID 144540102) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
PubChem CID144540102
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Nameethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
SMILESCC.COc1ccc(C)cc1CN1CCN(C)CC1
InChIInChI=1S/C14H22N2O.C2H6/c1-12-4-5-14(17-3)13(10-12)11-16-8-6-15(2)7-9-16;1-2/h4-5,10H,6-9,11H2,1-3H3;1-2H3
InChIKeyANSPGWGYCMBHTC-UHFFFAOYSA-N
XLogP2.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 62154973
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60673434
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
1-(4-fluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9036604
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 8997651
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine (CID 144540102) is ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine is CC.COc1ccc(C)cc1CN1CCN(C)CC1.
What is the InChIKey of ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine?
The InChIKey is ANSPGWGYCMBHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C2H6/c1-12-4-5-14(17-3)13(10-12)11-16-8-6-15(2)7-9-16;1-2/h4-5,10H,6-9,11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine?
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine has a molecular weight of 264.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 144540102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).