[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol

C14H22N2O — CID 62134517

IUPAC[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol
SMILESCCN1CCN(c2ccc(CO)c(C)c2)CC1
InChIInChI=1S/C14H22N2O/c1-3-15-6-8-16(9-7-15)14-5-4-13(11-17)12(2)10-14/h4-5,10,17H,3,6-9,11H2,1-2H3
InChIKeyKFUFFJGYZJJWLT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.63
Rot. Bonds3

About [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol

[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol (PubChem CID 62134517) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol
PubChem CID62134517
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol
SMILESCCN1CCN(c2ccc(CO)c(C)c2)CC1
InChIInChI=1S/C14H22N2O/c1-3-15-6-8-16(9-7-15)14-5-4-13(11-17)12(2)10-14/h4-5,10,17H,3,6-9,11H2,1-2H3
InChIKeyKFUFFJGYZJJWLT-UHFFFAOYSA-N
XLogP1.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanamine
CID 62135177
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
1-[4-[4-(hydroxymethyl)-3-methylphenyl]-1,4-diazepan-1-yl]ethanone
CID 62135554
[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol
CID 62135741
2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
CID 62135193
2-chloro-4-(4-ethylpiperazin-1-yl)phenol
CID 71406560
[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol
CID 103535412
[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol
CID 63152797
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol
CID 143655087
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol?
The IUPAC name of [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol (CID 62134517) is [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol?
The canonical SMILES for [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol is CCN1CCN(c2ccc(CO)c(C)c2)CC1.
What is the InChIKey of [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol?
The InChIKey is KFUFFJGYZJJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-15-6-8-16(9-7-15)14-5-4-13(11-17)12(2)10-14/h4-5,10,17H,3,6-9,11H2,1-2H3.
What are the key properties of [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol?
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol is sourced from PubChem (CID 62134517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).