1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol

C14H22N2O — CID 142710465

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
SMILESCc1cccc(N2CCN(C(C)O)CC2)c1C
InChIInChI=1S/C14H22N2O/c1-11-5-4-6-14(12(11)2)16-9-7-15(8-10-16)13(3)17/h4-6,13,17H,7-10H2,1-3H3
InChIKeyZUKCCMSVNADCAJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.76
Rot. Bonds2

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol (PubChem CID 142710465) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
PubChem CID142710465
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
SMILESCc1cccc(N2CCN(C(C)O)CC2)c1C
InChIInChI=1S/C14H22N2O/c1-11-5-4-6-14(12(11)2)16-9-7-15(8-10-16)13(3)17/h4-6,13,17H,7-10H2,1-3H3
InChIKeyZUKCCMSVNADCAJ-UHFFFAOYSA-N
XLogP1.76
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582667
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454764
2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylbutan-1-amine
CID 62440068
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentanethioamide
CID 43175015
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065
(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460053
(2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 8582695
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one
CID 60719002

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol (CID 142710465) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol is Cc1cccc(N2CCN(C(C)O)CC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol?
The InChIKey is ZUKCCMSVNADCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-4-6-14(12(11)2)16-9-7-15(8-10-16)13(3)17/h4-6,13,17H,7-10H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 142710465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).