4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine

C18H27FN2O — CID 95862544

IUPAC4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCC(C)(CN1CC[C@@H](c2ccccc2F)C1)N1CCOCC1
InChIInChI=1S/C18H27FN2O/c1-18(2,21-9-11-22-12-10-21)14-20-8-7-15(13-20)16-5-3-4-6-17(16)19/h3-6,15H,7-14H2,1-2H3/t15-/m1/s1
InChIKeyQPXYSTHBCFCBSL-OAHLLOKOSA-N
MW306.42 g/mol
LogP2.73
Rot. Bonds4

About 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine

4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine (PubChem CID 95862544) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
PubChem CID95862544
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCC(C)(CN1CC[C@@H](c2ccccc2F)C1)N1CCOCC1
InChIInChI=1S/C18H27FN2O/c1-18(2,21-9-11-22-12-10-21)14-20-8-7-15(13-20)16-5-3-4-6-17(16)19/h3-6,15H,7-14H2,1-2H3/t15-/m1/s1
InChIKeyQPXYSTHBCFCBSL-OAHLLOKOSA-N
XLogP2.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine (CID 95862544) is 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine is CC(C)(CN1CC[C@@H](c2ccccc2F)C1)N1CCOCC1.
What is the InChIKey of 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine?
The InChIKey is QPXYSTHBCFCBSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-18(2,21-9-11-22-12-10-21)14-20-8-7-15(13-20)16-5-3-4-6-17(16)19/h3-6,15H,7-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine?
4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine has a molecular weight of 306.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 95862544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).