[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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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).