5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C17H20N2O2 — CID 18538363

IUPAC5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESOC1CC(COc2ccccc2)N(Cc2ccncc2)C1
InChIInChI=1S/C17H20N2O2/c20-16-10-15(13-21-17-4-2-1-3-5-17)19(12-16)11-14-6-8-18-9-7-14/h1-9,15-16,20H,10-13H2
InChIKeyIUKFZRSHRLIKHR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.10
Rot. Bonds5

About 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol

5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 18538363) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID18538363
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESOC1CC(COc2ccccc2)N(Cc2ccncc2)C1
InChIInChI=1S/C17H20N2O2/c20-16-10-15(13-21-17-4-2-1-3-5-17)19(12-16)11-14-6-8-18-9-7-14/h1-9,15-16,20H,10-13H2
InChIKeyIUKFZRSHRLIKHR-UHFFFAOYSA-N
XLogP2.10
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
CID 14117026
2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 167856093
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]pyridine-3-sulfonamide
CID 155959673
(3R,5S)-1-methyl-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
CID 18391712
(2S)-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxylic acid;[(3S,5S)-5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl] (2S)-1-(1,3-benzoxazol-2-yl)piperidine-2-carboxylate;hydrochloride
CID 158181042
1-benzyl-2-[(3-chlorophenoxy)methyl]aziridine
CID 86236377
1-benzyl-2-(phenoxymethyl)azetidine;oxalic acid;hydrate
CID 67905585
1-benzyl-2-[[4-[2-[4-[(1-benzylaziridin-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]aziridine
CID 137491895
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128574882
tert-butyl (2R,4S)-4-hydroxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate
CID 70266467
(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
CID 97078882
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 167925784

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 18538363) is 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol is OC1CC(COc2ccccc2)N(Cc2ccncc2)C1.
What is the InChIKey of 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is IUKFZRSHRLIKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-10-15(13-21-17-4-2-1-3-5-17)19(12-16)11-14-6-8-18-9-7-14/h1-9,15-16,20H,10-13H2.
What are the key properties of 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 284.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 18538363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).