[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol

C20H25NO2 — CID 122383761

IUPAC[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
SMILESOC[C@H]1[C@@H](OCc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C20H25NO2/c22-15-19-20(23-16-18-10-5-2-6-11-18)12-7-13-21(19)14-17-8-3-1-4-9-17/h1-6,8-11,19-20,22H,7,12-16H2/t19-,20-/m0/s1
InChIKeyJIEQRBCIKIIHHO-PMACEKPBSA-N
MW311.43 g/mol
LogP3.23
Rot. Bonds6

About [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol

[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol (PubChem CID 122383761) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
PubChem CID122383761
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
SMILESOC[C@H]1[C@@H](OCc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C20H25NO2/c22-15-19-20(23-16-18-10-5-2-6-11-18)12-7-13-21(19)14-17-8-3-1-4-9-17/h1-6,8-11,19-20,22H,7,12-16H2/t19-,20-/m0/s1
InChIKeyJIEQRBCIKIIHHO-PMACEKPBSA-N
XLogP3.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
[(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol
CID 10360734
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
CID 167117714
(1S,2S,6R)-2-chloro-6-phenylmethoxycyclohexan-1-ol
CID 15936956
[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
CID 85281487

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol?
The IUPAC name of [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol (CID 122383761) is [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol?
The canonical SMILES for [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol is OC[C@H]1[C@@H](OCc2ccccc2)CCCN1Cc1ccccc1.
What is the InChIKey of [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol?
The InChIKey is JIEQRBCIKIIHHO-PMACEKPBSA-N. The full InChI is InChI=1S/C20H25NO2/c22-15-19-20(23-16-18-10-5-2-6-11-18)12-7-13-21(19)14-17-8-3-1-4-9-17/h1-6,8-11,19-20,22H,7,12-16H2/t19-,20-/m0/s1.
What are the key properties of [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol?
[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol has a molecular weight of 311.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol is sourced from PubChem (CID 122383761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).