2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine

C20H25FN2OS — CID 135091119

IUPAC2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
SMILESFc1ccc(C2CN(Cc3cc(CN4CCCC4)cs3)CCO2)cc1
InChIInChI=1S/C20H25FN2OS/c21-18-5-3-17(4-6-18)20-14-23(9-10-24-20)13-19-11-16(15-25-19)12-22-7-1-2-8-22/h3-6,11,15,20H,1-2,7-10,12-14H2
InChIKeyAWSXHAHPKHQYNE-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine

2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine (PubChem CID 135091119) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
PubChem CID135091119
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Name2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
SMILESFc1ccc(C2CN(Cc3cc(CN4CCCC4)cs3)CCO2)cc1
InChIInChI=1S/C20H25FN2OS/c21-18-5-3-17(4-6-18)20-14-23(9-10-24-20)13-19-11-16(15-25-19)12-22-7-1-2-8-22/h3-6,11,15,20H,1-2,7-10,12-14H2
InChIKeyAWSXHAHPKHQYNE-UHFFFAOYSA-N
XLogP4.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine (CID 135091119) is 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine is Fc1ccc(C2CN(Cc3cc(CN4CCCC4)cs3)CCO2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine?
The InChIKey is AWSXHAHPKHQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c21-18-5-3-17(4-6-18)20-14-23(9-10-24-20)13-19-11-16(15-25-19)12-22-7-1-2-8-22/h3-6,11,15,20H,1-2,7-10,12-14H2.
What are the key properties of 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine?
2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine has a molecular weight of 360.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 135091119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).