[(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol

C23H31NO2 — CID 10360734

IUPAC[(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2ccccc2)[C@@H]1CCCOCc1ccccc1
InChIInChI=1S/C23H31NO2/c25-18-22-13-7-15-24(17-20-9-3-1-4-10-20)23(22)14-8-16-26-19-21-11-5-2-6-12-21/h1-6,9-12,22-23,25H,7-8,13-19H2/t22-,23+/m0/s1
InChIKeyRPQSUETWUXDSRI-XZOQPEGZSA-N
MW353.51 g/mol
LogP4.26
Rot. Bonds9

About [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol

[(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol (PubChem CID 10360734) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol
PubChem CID10360734
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name[(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CCCN(Cc2ccccc2)[C@@H]1CCCOCc1ccccc1
InChIInChI=1S/C23H31NO2/c25-18-22-13-7-15-24(17-20-9-3-1-4-10-20)23(22)14-8-16-26-19-21-11-5-2-6-12-21/h1-6,9-12,22-23,25H,7-8,13-19H2/t22-,23+/m0/s1
InChIKeyRPQSUETWUXDSRI-XZOQPEGZSA-N
XLogP4.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 122383761
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 168870314
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol
CID 10568972
2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
CID 18928668
[(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol
CID 146139282
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
[(2S,3S,4R,5S)-1-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
CID 11092599
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
2-[2-[[4-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-ylmethyl)phenyl]methoxy]ethoxy]ethanol;methane
CID 145484701

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol?
The IUPAC name of [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol (CID 10360734) is [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol?
The canonical SMILES for [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol is OC[C@@H]1CCCN(Cc2ccccc2)[C@@H]1CCCOCc1ccccc1.
What is the InChIKey of [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol?
The InChIKey is RPQSUETWUXDSRI-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H31NO2/c25-18-22-13-7-15-24(17-20-9-3-1-4-10-20)23(22)14-8-16-26-19-21-11-5-2-6-12-21/h1-6,9-12,22-23,25H,7-8,13-19H2/t22-,23+/m0/s1.
What are the key properties of [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol?
[(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol has a molecular weight of 353.51 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 10360734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).