[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol

C17H25FN2O2 — CID 75440057

IUPAC[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1c(F)cccc1N1CCCC1
InChIInChI=1S/C17H25FN2O2/c1-13-12-22-14(11-21)9-20(13)10-15-16(18)5-4-6-17(15)19-7-2-3-8-19/h4-6,13-14,21H,2-3,7-12H2,1H3
InChIKeyIINOEVXIFLRETQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.01
Rot. Bonds4

About [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol

[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 75440057) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID75440057
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1c(F)cccc1N1CCCC1
InChIInChI=1S/C17H25FN2O2/c1-13-12-22-14(11-21)9-20(13)10-15-16(18)5-4-6-17(15)19-7-2-3-8-19/h4-6,13-14,21H,2-3,7-12H2,1H3
InChIKeyIINOEVXIFLRETQ-UHFFFAOYSA-N
XLogP2.01
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl}methanol
CID 70767794
5-(Hydroxymethyl)-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 207138
1-[2-(1-Aminoethyl)-4-fluorophenyl]piperidin-4-ol
CID 43188858
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpyrrolidin-3-yl)oxypropan-2-ol
CID 90248301
1-Piperazineethanol, alpha-methoxymethyl-4-o-tolyl-
CID 24842153
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 5034583
1-[4-(o-Fluorophenyl)-1-piperazinyl]-3-(tert-pentyloxy)-2-propanol
CID 16958211
1-(Tert-pentyloxy)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propan-2-ol hydrochloride
CID 16958212
(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-3-ol
CID 28961944
4-(3-Morpholin-4-ylbenzyl)-1,4-oxazepan-6-ol
CID 70765882
(3R,4R)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol
CID 72923648
US12528773, Example 10
CID 166834241

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 75440057) is [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1c(F)cccc1N1CCCC1.
What is the InChIKey of [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is IINOEVXIFLRETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13-12-22-14(11-21)9-20(13)10-15-16(18)5-4-6-17(15)19-7-2-3-8-19/h4-6,13-14,21H,2-3,7-12H2,1H3.
What are the key properties of [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 308.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 75440057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).