2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol

C20H26N2O2 — CID 15696222

IUPAC2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol
SMILESCC(C)C[C@H]1CN[C@H](c2ccccc2O)[C@@H](c2ccccc2O)N1
InChIInChI=1S/C20H26N2O2/c1-13(2)11-14-12-21-19(15-7-3-5-9-17(15)23)20(22-14)16-8-4-6-10-18(16)24/h3-10,13-14,19-24H,11-12H2,1-2H3/t14-,19+,20+/m0/s1
InChIKeyQZYKLMHERNXDKT-VHKYSDTDSA-N
MW326.44 g/mol
LogP3.49
Rot. Bonds4

About 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol

2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol (PubChem CID 15696222) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol.

Molecular Properties

Compound Name2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol
PubChem CID15696222
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol
SMILESCC(C)C[C@H]1CN[C@H](c2ccccc2O)[C@@H](c2ccccc2O)N1
InChIInChI=1S/C20H26N2O2/c1-13(2)11-14-12-21-19(15-7-3-5-9-17(15)23)20(22-14)16-8-4-6-10-18(16)24/h3-10,13-14,19-24H,11-12H2,1-2H3/t14-,19+,20+/m0/s1
InChIKeyQZYKLMHERNXDKT-VHKYSDTDSA-N
XLogP3.49
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CP-100263
CID 9796216
CP-99994
CID 5311057
N,N-bis[2-hydroxybenzyl]amine
CID 230856
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-[(Butylamino)methyl]phenol
CID 487839
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714
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
(3R)-3-{[((1S)-1-{[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)amino]methyl}-1,2,3,4-tetrahydro-7-isoquinolinol
CID 11070421
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol?
The IUPAC name of 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol (CID 15696222) is 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol.
What is the SMILES notation for 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol?
The canonical SMILES for 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol is CC(C)C[C@H]1CN[C@H](c2ccccc2O)[C@@H](c2ccccc2O)N1.
What is the InChIKey of 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol?
The InChIKey is QZYKLMHERNXDKT-VHKYSDTDSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)11-14-12-21-19(15-7-3-5-9-17(15)23)20(22-14)16-8-4-6-10-18(16)24/h3-10,13-14,19-24H,11-12H2,1-2H3/t14-,19+,20+/m0/s1.
What are the key properties of 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol?
2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol has a molecular weight of 326.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,5S)-3-(2-hydroxyphenyl)-5-(2-methylpropyl)piperazin-2-yl]phenol is sourced from PubChem (CID 15696222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).