[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol

C13H19NO — CID 23248612

IUPAC[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
SMILESC[C@H]1C[C@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11-7-13(10-15)14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyBYFBLBLWIKQDCW-WCQYABFASA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds3

About [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol

[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol (PubChem CID 23248612) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
PubChem CID23248612
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
SMILESC[C@H]1C[C@H](CO)N(Cc2ccccc2)C1
InChIInChI=1S/C13H19NO/c1-11-7-13(10-15)14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyBYFBLBLWIKQDCW-WCQYABFASA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
methyl 2-(1-benzyl-4-methylpyrrolidin-2-yl)acetate
CID 90060732
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
(4-benzyl-6-methylmorpholin-3-yl)methanol
CID 131123485
[(2S,4R)-1-benzyl-4-[[benzyl(hydroxy)amino]methyl]pyrrolidin-2-yl]methanol
CID 166873149
1-benzyl-2,5-dimethylpiperidine
CID 73200484
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(1-benzyl-6-methylpiperidin-3-yl)methanol
CID 22106848
[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
CID 146573821
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol (CID 23248612) is [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol is C[C@H]1C[C@H](CO)N(Cc2ccccc2)C1.
What is the InChIKey of [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol?
The InChIKey is BYFBLBLWIKQDCW-WCQYABFASA-N. The full InChI is InChI=1S/C13H19NO/c1-11-7-13(10-15)14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol?
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 23248612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).