[4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol

C14H27FN2O3 — CID 166984364

IUPAC[4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol
SMILESCCOC1CC(COC2CN(C)C(CO)C2F)N(C)C1
InChIInChI=1S/C14H27FN2O3/c1-4-19-11-5-10(16(2)6-11)9-20-13-7-17(3)12(8-18)14(13)15/h10-14,18H,4-9H2,1-3H3
InChIKeyWCRNHCHTAAHWJR-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.13
Rot. Bonds6

About [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol

[4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol (PubChem CID 166984364) has the molecular formula C14H27FN2O3 and a molecular weight of 290.38 g/mol. Its IUPAC name is [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol
PubChem CID166984364
Molecular FormulaC14H27FN2O3
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name[4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol
SMILESCCOC1CC(COC2CN(C)C(CO)C2F)N(C)C1
InChIInChI=1S/C14H27FN2O3/c1-4-19-11-5-10(16(2)6-11)9-20-13-7-17(3)12(8-18)14(13)15/h10-14,18H,4-9H2,1-3H3
InChIKeyWCRNHCHTAAHWJR-UHFFFAOYSA-N
XLogP0.13
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol (CID 166984364) is [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol is CCOC1CC(COC2CN(C)C(CO)C2F)N(C)C1.
What is the InChIKey of [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is WCRNHCHTAAHWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O3/c1-4-19-11-5-10(16(2)6-11)9-20-13-7-17(3)12(8-18)14(13)15/h10-14,18H,4-9H2,1-3H3.
What are the key properties of [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol?
[4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 290.38 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxy-1-methylpyrrolidin-2-yl)methoxy]-3-fluoro-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 166984364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).