[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol

C13H19NO2 — CID 99987286

IUPAC[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCOc1ccc([C@@H]2CN(C)C[C@@H]2CO)cc1
InChIInChI=1S/C13H19NO2/c1-14-7-11(9-15)13(8-14)10-3-5-12(16-2)6-4-10/h3-6,11,13,15H,7-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyKUYYGVJYJPSSMR-YPMHNXCESA-N
MW221.30 g/mol
LogP1.33
Rot. Bonds3

About [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol

[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 99987286) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID99987286
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCOc1ccc([C@@H]2CN(C)C[C@@H]2CO)cc1
InChIInChI=1S/C13H19NO2/c1-14-7-11(9-15)13(8-14)10-3-5-12(16-2)6-4-10/h3-6,11,13,15H,7-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyKUYYGVJYJPSSMR-YPMHNXCESA-N
XLogP1.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol
CID 124675472
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
[(3S,4R)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 11220784
(5S,6S)-5-(hydroxymethyl)-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95240640
[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol
CID 59408053
tert-butyl (4R,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)azepane-1-carboxylate
CID 153406776
(3S,4S)-4-[4-[(cyclopropanecarbonylamino)methyl]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 125022795
5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 83540319
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 42862684
(3R,4S)-4-[4-(benzamidomethyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 124990587
2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 139216494

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol (CID 99987286) is [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol is COc1ccc([C@@H]2CN(C)C[C@@H]2CO)cc1.
What is the InChIKey of [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is KUYYGVJYJPSSMR-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-7-11(9-15)13(8-14)10-3-5-12(16-2)6-4-10/h3-6,11,13,15H,7-9H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol?
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 99987286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).