[(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

C17H24F2N2O2 — CID 70768410

IUPAC[(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2ccc(F)cc2F)C[C@H]1CN1CCOCC1
InChIInChI=1S/C17H24F2N2O2/c18-16-2-1-13(17(19)7-16)8-21-10-14(15(11-21)12-22)9-20-3-5-23-6-4-20/h1-2,7,14-15,22H,3-6,8-12H2/t14-,15-/m1/s1
InChIKeyPWMZZUVYXXLAKQ-HUUCEWRRSA-N
MW326.39 g/mol
LogP1.34
Rot. Bonds5

About [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70768410) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70768410
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name[(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2ccc(F)cc2F)C[C@H]1CN1CCOCC1
InChIInChI=1S/C17H24F2N2O2/c18-16-2-1-13(17(19)7-16)8-21-10-14(15(11-21)12-22)9-20-3-5-23-6-4-20/h1-2,7,14-15,22H,3-6,8-12H2/t14-,15-/m1/s1
InChIKeyPWMZZUVYXXLAKQ-HUUCEWRRSA-N
XLogP1.34
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

2-[{[(3R*,4R*)-1-(biphenyl-2-ylmethyl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70763083
[2-Cyclobutyl-8-(2,5-difluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91921885
2-[{[(3R*,4R*)-4-(hydroxymethyl)-1-(2-methylbenzyl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70718459
1-(2,3-Difluorobenzyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854
1-(4-Fluoro-2-methylbenzyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70783698
(3R*,4R*)-N-(4-fluorobenzyl)-3-(hydroxymethyl)-4-(4-morpholinylmethyl)-1-pyrrolidinecarboxamide
CID 72869799
[1-(3,5-Difluorobenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91763156
[1-(4-Fluoro-2-methylbenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91774205
[1-(4-Fluoro-3-methylbenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91782351
[1-(2-Fluorobenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91787813
(4-{1-[(3-Fluorophenyl)methyl]piperidin-4-YL}pyrrolidin-3-YL)methanol
CID 91921207
{(3S,4S)-4-[1-(3,4-difluorobenzyl)-4-piperidyl]tetrahydro-1H-pyrrol-3-yl}methanol
CID 91921211

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 70768410) is [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is OC[C@H]1CN(Cc2ccc(F)cc2F)C[C@H]1CN1CCOCC1.
What is the InChIKey of [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is PWMZZUVYXXLAKQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c18-16-2-1-13(17(19)7-16)8-21-10-14(15(11-21)12-22)9-20-3-5-23-6-4-20/h1-2,7,14-15,22H,3-6,8-12H2/t14-,15-/m1/s1.
What are the key properties of [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 326.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-[(2,4-difluorophenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70768410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).