1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol

C15H24N2O2 — CID 3878762

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
SMILESCOc1c(C)cc(C)cc1C(O)CN1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-11-8-12(2)15(19-3)13(9-11)14(18)10-17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3
InChIKeyMWHBHGCECAEQSU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol

1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol (PubChem CID 3878762) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
PubChem CID3878762
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
SMILESCOc1c(C)cc(C)cc1C(O)CN1CCNCC1
InChIInChI=1S/C15H24N2O2/c1-11-8-12(2)15(19-3)13(9-11)14(18)10-17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3
InChIKeyMWHBHGCECAEQSU-UHFFFAOYSA-N
XLogP1.25
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol
CID 82267582
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
CID 82296707
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
CID 117429093
(1S,3S)-3-amino-1-(2-methoxy-3,5-dimethylphenyl)butane-1,4-diol
CID 165351519
4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol
CID 82266503
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-(2-methoxy-5-nitrophenyl)-2-piperazin-1-ylethanol
CID 4690374

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol (CID 3878762) is 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol is COc1c(C)cc(C)cc1C(O)CN1CCNCC1.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is MWHBHGCECAEQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-8-12(2)15(19-3)13(9-11)14(18)10-17-6-4-16-5-7-17/h8-9,14,16,18H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol?
1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 264.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 3878762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).