(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol

C14H22N2O — CID 171182918

IUPAC(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
SMILESCc1ccc([C@@H](CO)N2CCNCC2)cc1C
InChIInChI=1S/C14H22N2O/c1-11-3-4-13(9-12(11)2)14(10-17)16-7-5-15-6-8-16/h3-4,9,14-15,17H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyWVFJMFALEQPQCL-CQSZACIVSA-N
MW234.34 g/mol
LogP1.24
Rot. Bonds3

About (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol

(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol (PubChem CID 171182918) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
PubChem CID171182918
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
SMILESCc1ccc([C@@H](CO)N2CCNCC2)cc1C
InChIInChI=1S/C14H22N2O/c1-11-3-4-13(9-12(11)2)14(10-17)16-7-5-15-6-8-16/h3-4,9,14-15,17H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyWVFJMFALEQPQCL-CQSZACIVSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174363
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
1-[(1S)-1-(3,4-dimethylphenyl)-3-methylbutyl]piperazine
CID 95467094
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
(3S)-3-(3,4-dimethylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305864
(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183258
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol (CID 171182918) is (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol is Cc1ccc([C@@H](CO)N2CCNCC2)cc1C.
What is the InChIKey of (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is WVFJMFALEQPQCL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-4-13(9-12(11)2)14(10-17)16-7-5-15-6-8-16/h3-4,9,14-15,17H,5-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol?
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 234.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 171182918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).