1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol

C20H25NO2 — CID 10335639

IUPAC1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol
SMILESC[C@@H]([C@@H](O)c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H25NO2/c1-16(19(22)17-8-4-2-5-9-17)21-14-12-20(23,13-15-21)18-10-6-3-7-11-18/h2-11,16,19,22-23H,12-15H2,1H3/t16-,19+/m0/s1
InChIKeyRWLHDPSXYGPVBC-QFBILLFUSA-N
MW311.43 g/mol
LogP3.09
Rot. Bonds4

About 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol

1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol (PubChem CID 10335639) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol
PubChem CID10335639
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol
SMILESC[C@@H]([C@@H](O)c1ccccc1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H25NO2/c1-16(19(22)17-8-4-2-5-9-17)21-14-12-20(23,13-15-21)18-10-6-3-7-11-18/h2-11,16,19,22-23H,12-15H2,1H3/t16-,19+/m0/s1
InChIKeyRWLHDPSXYGPVBC-QFBILLFUSA-N
XLogP3.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol (CID 10335639) is 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol is C[C@@H]([C@@H](O)c1ccccc1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol?
The InChIKey is RWLHDPSXYGPVBC-QFBILLFUSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(19(22)17-8-4-2-5-9-17)21-14-12-20(23,13-15-21)18-10-6-3-7-11-18/h2-11,16,19,22-23H,12-15H2,1H3/t16-,19+/m0/s1.
What are the key properties of 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol?
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol has a molecular weight of 311.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 10335639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).