1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine

C16H26N2O — CID 82302915

IUPAC1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine
SMILESCOc1ccc(CCN2CCNCC2(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-13-11-14(5-6-15(13)19-4)7-9-18-10-8-17-12-16(18,2)3/h5-6,11,17H,7-10,12H2,1-4H3
InChIKeyYXASKRXVOFCFDU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds4

About 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine

1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine (PubChem CID 82302915) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine
PubChem CID82302915
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine
SMILESCOc1ccc(CCN2CCNCC2(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-13-11-14(5-6-15(13)19-4)7-9-18-10-8-17-12-16(18,2)3/h5-6,11,17H,7-10,12H2,1-4H3
InChIKeyYXASKRXVOFCFDU-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 65463120
1-[2-(4-bromophenyl)ethyl]-2,2-dimethylpiperazine
CID 82308187
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620
2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 63596118
3-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83691069
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
1-[(2-methoxynaphthalen-1-yl)methyl]-2,2-dimethylpiperazine
CID 65461295
2,2-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 63774564
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine (CID 82302915) is 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine is COc1ccc(CCN2CCNCC2(C)C)cc1C.
What is the InChIKey of 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine?
The InChIKey is YXASKRXVOFCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-11-14(5-6-15(13)19-4)7-9-18-10-8-17-12-16(18,2)3/h5-6,11,17H,7-10,12H2,1-4H3.
What are the key properties of 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine?
1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 82302915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).