2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol

C16H18N2O2 — CID 15696216

IUPAC2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol
SMILESOc1ccccc1[C@H]1NCCN[C@@H]1c1ccccc1O
InChIInChI=1S/C16H18N2O2/c19-13-7-3-1-5-11(13)15-16(18-10-9-17-15)12-6-2-4-8-14(12)20/h1-8,15-20H,9-10H2/t15-,16-/m1/s1
InChIKeyKERNBIPDYLKESH-HZPDHXFCSA-N
MW270.33 g/mol
LogP2.07
Rot. Bonds2

About 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol

2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol (PubChem CID 15696216) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol.

Molecular Properties

Compound Name2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol
PubChem CID15696216
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol
SMILESOc1ccccc1[C@H]1NCCN[C@@H]1c1ccccc1O
InChIInChI=1S/C16H18N2O2/c19-13-7-3-1-5-11(13)15-16(18-10-9-17-15)12-6-2-4-8-14(12)20/h1-8,15-20H,9-10H2/t15-,16-/m1/s1
InChIKeyKERNBIPDYLKESH-HZPDHXFCSA-N
XLogP2.07
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

CP-100263
CID 9796216
CP-99994
CID 5311057
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CID 3669487
2-[(Butylamino)methyl]phenol
CID 487839
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
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2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
1-(2-(2-Methoxyphenyl)-1-phenylethyl)piperazine
CID 44414722
(2S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 105083
(2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 9967131
(2-Hydroxy-phenyl)-[4-(2-hydroxy-thiobenzoyl)-piperazin-1-yl]-methanethione
CID 586440
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol?
The IUPAC name of 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol (CID 15696216) is 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol.
What is the SMILES notation for 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol?
The canonical SMILES for 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol is Oc1ccccc1[C@H]1NCCN[C@@H]1c1ccccc1O.
What is the InChIKey of 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol?
The InChIKey is KERNBIPDYLKESH-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-13-7-3-1-5-11(13)15-16(18-10-9-17-15)12-6-2-4-8-14(12)20/h1-8,15-20H,9-10H2/t15-,16-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol?
2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol has a molecular weight of 270.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-(2-hydroxyphenyl)piperazin-2-yl]phenol is sourced from PubChem (CID 15696216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).