1-(3-methylphenyl)-2-piperazin-1-ylethanol

C13H20N2O — CID 3677974

IUPAC1-(3-methylphenyl)-2-piperazin-1-ylethanol
SMILESCc1cccc(C(O)CN2CCNCC2)c1
InChIInChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(16)10-15-7-5-14-6-8-15/h2-4,9,13-14,16H,5-8,10H2,1H3
InChIKeyXZSDZMCXTGIGKE-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.93
Rot. Bonds3

About 1-(3-methylphenyl)-2-piperazin-1-ylethanol

1-(3-methylphenyl)-2-piperazin-1-ylethanol (PubChem CID 3677974) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-piperazin-1-ylethanol
PubChem CID3677974
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3-methylphenyl)-2-piperazin-1-ylethanol
SMILESCc1cccc(C(O)CN2CCNCC2)c1
InChIInChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(16)10-15-7-5-14-6-8-15/h2-4,9,13-14,16H,5-8,10H2,1H3
InChIKeyXZSDZMCXTGIGKE-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenyl)propyl]piperazine
CID 82509212
2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
CID 56771251
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
1-(4-iodophenyl)-2-piperazin-1-ylethanol
CID 3894753
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(3-methylphenyl)-2-piperazin-1-ylethanol (CID 3677974) is 1-(3-methylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(3-methylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(3-methylphenyl)-2-piperazin-1-ylethanol is Cc1cccc(C(O)CN2CCNCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is XZSDZMCXTGIGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(16)10-15-7-5-14-6-8-15/h2-4,9,13-14,16H,5-8,10H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-piperazin-1-ylethanol?
1-(3-methylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 220.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 3677974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).