(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol

C22H29NO2 — CID 780314

IUPAC(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H29NO2/c24-22(18-25-17-21-9-5-2-6-10-21)16-23-13-11-20(12-14-23)15-19-7-3-1-4-8-19/h1-10,20,22,24H,11-18H2/t22-/m1/s1
InChIKeyOGNPTZCLZHLBHT-JOCHJYFZSA-N
MW339.48 g/mol
LogP3.52
Rot. Bonds8

About (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol

(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 780314) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID780314
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](COCc1ccccc1)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H29NO2/c24-22(18-25-17-21-9-5-2-6-10-21)16-23-13-11-20(12-14-23)15-19-7-3-1-4-8-19/h1-10,20,22,24H,11-18H2/t22-/m1/s1
InChIKeyOGNPTZCLZHLBHT-JOCHJYFZSA-N
XLogP3.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol
CID 1351857
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 110910900
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588343

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol (CID 780314) is (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol is O[C@@H](COCc1ccccc1)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is OGNPTZCLZHLBHT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29NO2/c24-22(18-25-17-21-9-5-2-6-10-21)16-23-13-11-20(12-14-23)15-19-7-3-1-4-8-19/h1-10,20,22,24H,11-18H2/t22-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 339.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 780314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).