(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol

C13H19NO2 — CID 14117026

IUPAC(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
SMILESCOC[C@H]1C[C@@H](O)CN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-16-10-12-7-13(15)9-14(12)8-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13-/m1/s1
InChIKeyFKMILAOKWXKXBZ-CHWSQXEVSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds4

About (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol

(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol (PubChem CID 14117026) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
PubChem CID14117026
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol
SMILESCOC[C@H]1C[C@@H](O)CN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-16-10-12-7-13(15)9-14(12)8-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13-/m1/s1
InChIKeyFKMILAOKWXKXBZ-CHWSQXEVSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 18538363
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128574882
(3R,5S)-1-benzyl-5-[[(4-methylcyclohexyl)amino]methyl]pyrrolidin-3-ol
CID 97078882
(2S,4R)-1-benzyl-2-(fluoromethyl)-4-methoxypyrrolidine
CID 135010272
1-benzyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 86786895
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 167925784
(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol
CID 11792818
2-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 167856093
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(3R,5R)-1-benzyl-5-(1-hydroxy-1-phenylpropyl)pyrrolidin-3-ol
CID 10638793
N-[(1-benzyl-4-hydroxypyrrolidin-2-yl)methyl]-2-(cyclopropylamino)acetamide;hydrochloride
CID 110012487

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol (CID 14117026) is (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol is COC[C@H]1C[C@@H](O)CN1Cc1ccccc1.
What is the InChIKey of (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol?
The InChIKey is FKMILAOKWXKXBZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-10-12-7-13(15)9-14(12)8-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol?
(3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzyl-5-(methoxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 14117026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).