(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol

C12H17NO2 — CID 11579361

IUPAC(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@H]1CN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C12H17NO2/c14-9-11-7-13(8-12(11)15)6-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12+/m1/s1
InChIKeyXQYUBSUGHRDQSN-NEPJUHHUSA-N
MW207.27 g/mol
LogP0.47
Rot. Bonds3

About (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol

(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 11579361) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID11579361
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@H]1CN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C12H17NO2/c14-9-11-7-13(8-12(11)15)6-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12+/m1/s1
InChIKeyXQYUBSUGHRDQSN-NEPJUHHUSA-N
XLogP0.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol 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)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
(3S,4S,5S)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70297572
(3R,4R,5R)-1-benzyl-5-(hydroxymethyl)piperidine-3,4-diol;N-phenylaniline
CID 70294835
(3R,4R,5R)-5-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4-diol
CID 67508584
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
[1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol
CID 83870823

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol (CID 11579361) is (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol is OC[C@H]1CN(Cc2ccccc2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is XQYUBSUGHRDQSN-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO2/c14-9-11-7-13(8-12(11)15)6-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12+/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol?
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 11579361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).