(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol

C13H20N2O — CID 93470965

IUPAC(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
SMILESCc1ccc([C@H](CO)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-11-2-4-12(5-3-11)13(10-16)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3/t13-/m0/s1
InChIKeyUAPJRQLNNXDWLN-ZDUSSCGKSA-N
MW220.32 g/mol
LogP0.93
Rot. Bonds3

About (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol

(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol (PubChem CID 93470965) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
PubChem CID93470965
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
SMILESCc1ccc([C@H](CO)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O/c1-11-2-4-12(5-3-11)13(10-16)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3/t13-/m0/s1
InChIKeyUAPJRQLNNXDWLN-ZDUSSCGKSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
CID 171183294
1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
CID 171294160
(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171183486
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol (CID 93470965) is (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol is Cc1ccc([C@H](CO)N2CCNCC2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is UAPJRQLNNXDWLN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-2-4-12(5-3-11)13(10-16)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol?
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 220.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 93470965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).