(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol

C22H30N2O2 — CID 92573641

IUPAC(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
SMILESO[C@H](Cc1ccccc1)CN1CCN(C[C@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c25-21(15-19-7-3-1-4-8-19)17-23-11-13-24(14-12-23)18-22(26)16-20-9-5-2-6-10-20/h1-10,21-22,25-26H,11-18H2/t21-,22-/m1/s1
InChIKeyPMQHDSURMLJKRQ-FGZHOGPDSA-N
MW354.49 g/mol
LogP1.81
Rot. Bonds8

About (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol

(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol (PubChem CID 92573641) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
PubChem CID92573641
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
SMILESO[C@H](Cc1ccccc1)CN1CCN(C[C@H](O)Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c25-21(15-19-7-3-1-4-8-19)17-23-11-13-24(14-12-23)18-22(26)16-20-9-5-2-6-10-20/h1-10,21-22,25-26H,11-18H2/t21-,22-/m1/s1
InChIKeyPMQHDSURMLJKRQ-FGZHOGPDSA-N
XLogP1.81
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110884353
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698
1,6-diphenylhexane-2,5-diol
CID 15072586
(2S)-1-(7-oxa-1-azaspiro[3.5]nonan-1-yl)-3-phenylpropan-2-ol
CID 124873227
(2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 95147348
4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
CID 15048617
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
CID 3072697

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol?
The IUPAC name of (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol (CID 92573641) is (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol is O[C@H](Cc1ccccc1)CN1CCN(C[C@H](O)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol?
The InChIKey is PMQHDSURMLJKRQ-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21(15-19-7-3-1-4-8-19)17-23-11-13-24(14-12-23)18-22(26)16-20-9-5-2-6-10-20/h1-10,21-22,25-26H,11-18H2/t21-,22-/m1/s1.
What are the key properties of (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol?
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol has a molecular weight of 354.49 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 92573641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).