4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine

C20H29FN2O — CID 29218220

IUPAC4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine
SMILESFc1ccccc1C1(CN2CCC(CN3CCOCC3)CC2)CC1
InChIInChI=1S/C20H29FN2O/c21-19-4-2-1-3-18(19)20(7-8-20)16-23-9-5-17(6-10-23)15-22-11-13-24-14-12-22/h1-4,17H,5-16H2
InChIKeyAABNQHOWTYITOP-UHFFFAOYSA-N
MW332.46 g/mol
LogP2.90
Rot. Bonds5

About 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine

4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine (PubChem CID 29218220) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine
PubChem CID29218220
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine
SMILESFc1ccccc1C1(CN2CCC(CN3CCOCC3)CC2)CC1
InChIInChI=1S/C20H29FN2O/c21-19-4-2-1-3-18(19)20(7-8-20)16-23-9-5-17(6-10-23)15-22-11-13-24-14-12-22/h1-4,17H,5-16H2
InChIKeyAABNQHOWTYITOP-UHFFFAOYSA-N
XLogP2.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine (CID 29218220) is 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine is Fc1ccccc1C1(CN2CCC(CN3CCOCC3)CC2)CC1.
What is the InChIKey of 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is AABNQHOWTYITOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c21-19-4-2-1-3-18(19)20(7-8-20)16-23-9-5-17(6-10-23)15-22-11-13-24-14-12-22/h1-4,17H,5-16H2.
What are the key properties of 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine?
4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 332.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[1-(2-fluorophenyl)cyclopropyl]methyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 29218220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).