1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine

C15H24N2O — CID 82498846

IUPAC1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
SMILESCOc1cc(C)cc(C)c1C(C)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-11-9-12(2)15(14(10-11)18-4)13(3)17-7-5-16-6-8-17/h9-10,13,16H,5-8H2,1-4H3
InChIKeyBVPXXHSVXITRSA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.28
Rot. Bonds3

About 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine

1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine (PubChem CID 82498846) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
PubChem CID82498846
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
SMILESCOc1cc(C)cc(C)c1C(C)N1CCNCC1
InChIInChI=1S/C15H24N2O/c1-11-9-12(2)15(14(10-11)18-4)13(3)17-7-5-16-6-8-17/h9-10,13,16H,5-8H2,1-4H3
InChIKeyBVPXXHSVXITRSA-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbutyl]piperazine
CID 171296585
1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
CID 82296707
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82262989
(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189343
3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171285559
1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine
CID 82302013
1-[1-(2-methoxy-4,5-dimethylphenyl)ethyl]-1,4-diazepane
CID 82302974
1-[(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine
CID 171167327
1-[(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171283971
1-[(S)-(2,6-dimethoxy-4-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171296575

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine (CID 82498846) is 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine is COc1cc(C)cc(C)c1C(C)N1CCNCC1.
What is the InChIKey of 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine?
The InChIKey is BVPXXHSVXITRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-9-12(2)15(14(10-11)18-4)13(3)17-7-5-16-6-8-17/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine?
1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 82498846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).