2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol

C14H21N3O — CID 123497826

IUPAC2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol
SMILESCc1cccc(C)c1/N=C(\CO)N1CCNCC1
InChIInChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(10-18)17-8-6-15-7-9-17/h3-5,15,18H,6-10H2,1-2H3/b16-13+
InChIKeySGEDKOWWQUASPP-DTQAZKPQSA-N
MW247.34 g/mol
LogP1.23
Rot. Bonds2

About 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol

2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol (PubChem CID 123497826) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol
PubChem CID123497826
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol
SMILESCc1cccc(C)c1/N=C(\CO)N1CCNCC1
InChIInChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(10-18)17-8-6-15-7-9-17/h3-5,15,18H,6-10H2,1-2H3/b16-13+
InChIKeySGEDKOWWQUASPP-DTQAZKPQSA-N
XLogP1.23
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83922020
3-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39282675
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
4-(2,3-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83922013
(3R)-3-(2,6-dimethylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171179344
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
(3S)-3-(2,6-dimethylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171175992
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323
4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83923767
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
CID 110833761

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol?
The IUPAC name of 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol (CID 123497826) is 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol is Cc1cccc(C)c1/N=C(\CO)N1CCNCC1.
What is the InChIKey of 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol?
The InChIKey is SGEDKOWWQUASPP-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(10-18)17-8-6-15-7-9-17/h3-5,15,18H,6-10H2,1-2H3/b16-13+.
What are the key properties of 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol?
2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol has a molecular weight of 247.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)imino-2-piperazin-1-ylethanol is sourced from PubChem (CID 123497826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).