[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol

C18H27NO3 — CID 10733394

IUPAC[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CC[C@@H](COC2CCCCO2)N1Cc1ccccc1
InChIInChI=1S/C18H27NO3/c20-13-16-9-10-17(14-22-18-8-4-5-11-21-18)19(16)12-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t16-,17+,18?/m1/s1
InChIKeyUIXYZVDODHPEMR-DVKDBIPTSA-N
MW305.42 g/mol
LogP2.56
Rot. Bonds6

About [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol

[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol (PubChem CID 10733394) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol
PubChem CID10733394
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CC[C@@H](COC2CCCCO2)N1Cc1ccccc1
InChIInChI=1S/C18H27NO3/c20-13-16-9-10-17(14-22-18-8-4-5-11-21-18)19(16)12-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t16-,17+,18?/m1/s1
InChIKeyUIXYZVDODHPEMR-DVKDBIPTSA-N
XLogP2.56
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one;(5S)-1-methyl-5-[[(2S)-oxan-2-yl]oxymethyl]pyrrolidin-2-one
CID 155796944
1-benzyl-3-(oxan-2-yloxy)pyrrolidine
CID 18687581
2-(benzenesulfonyl)-1-[(2S)-2-(oxan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 11748930
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-(2-methylidene-4-phenylbutoxy)oxane
CID 86001164
4-(hydroxymethyl)-3-(oxan-2-yloxymethyl)-2-(2-phenylmethoxyethyl)cyclopentan-1-one
CID 21449127
[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
CID 163511125
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol (CID 10733394) is [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol is OC[C@H]1CC[C@@H](COC2CCCCO2)N1Cc1ccccc1.
What is the InChIKey of [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol?
The InChIKey is UIXYZVDODHPEMR-DVKDBIPTSA-N. The full InChI is InChI=1S/C18H27NO3/c20-13-16-9-10-17(14-22-18-8-4-5-11-21-18)19(16)12-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t16-,17+,18?/m1/s1.
What are the key properties of [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol?
[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol has a molecular weight of 305.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 10733394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).