(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride

C14H23ClN2O — CID 171183677

IUPAC(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCc1ccc(C)c([C@H](CO)N2CCNCC2)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-3-4-12(2)13(9-11)14(10-17)16-7-5-15-6-8-16;/h3-4,9,14-15,17H,5-8,10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyBYHKFWXVHVPJOZ-UQKRIMTDSA-N
MW270.80 g/mol
LogP1.66
Rot. Bonds3

About (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183677) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183677
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCc1ccc(C)c([C@H](CO)N2CCNCC2)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-3-4-12(2)13(9-11)14(10-17)16-7-5-15-6-8-16;/h3-4,9,14-15,17H,5-8,10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyBYHKFWXVHVPJOZ-UQKRIMTDSA-N
XLogP1.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2,5-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189349
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
1-[(1S)-1-(2,5-dimethylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171283999
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860255
1-[(1R)-1-(2,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173102
2-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82302460
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
4-chloro-2-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]-6-methylphenol;hydrochloride
CID 171183229
(3S)-3-(2,5-dimethylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171178091
(3R)-3-(2,5-dimethylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171181466
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183677) is (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride is Cc1ccc(C)c([C@H](CO)N2CCNCC2)c1.Cl.
What is the InChIKey of (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is BYHKFWXVHVPJOZ-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-11-3-4-12(2)13(9-11)14(10-17)16-7-5-15-6-8-16;/h3-4,9,14-15,17H,5-8,10H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).