4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine

C19H23ClFN3O — CID 57251870

IUPAC4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine
SMILESFc1ccc(-c2c[nH]c(N3CCCCC3N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C19H23ClFN3O/c20-16-11-14(4-5-17(16)21)15-12-18(22-13-15)24-6-2-1-3-19(24)23-7-9-25-10-8-23/h4-5,11-13,19,22H,1-3,6-10H2
InChIKeyWMPKISZTFCPMCL-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.12
Rot. Bonds3

About 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine

4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine (PubChem CID 57251870) has the molecular formula C19H23ClFN3O and a molecular weight of 363.86 g/mol. Its IUPAC name is 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine
PubChem CID57251870
Molecular FormulaC19H23ClFN3O
Molecular Weight363.86 g/mol
Exact Mass363.15
IUPAC Name4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine
SMILESFc1ccc(-c2c[nH]c(N3CCCCC3N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C19H23ClFN3O/c20-16-11-14(4-5-17(16)21)15-12-18(22-13-15)24-6-2-1-3-19(24)23-7-9-25-10-8-23/h4-5,11-13,19,22H,1-3,6-10H2
InChIKeyWMPKISZTFCPMCL-UHFFFAOYSA-N
XLogP4.12
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine?
The IUPAC name of 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine (CID 57251870) is 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine.
What is the SMILES notation for 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine?
The canonical SMILES for 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine is Fc1ccc(-c2c[nH]c(N3CCCCC3N3CCOCC3)c2)cc1Cl.
What is the InChIKey of 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine?
The InChIKey is WMPKISZTFCPMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O/c20-16-11-14(4-5-17(16)21)15-12-18(22-13-15)24-6-2-1-3-19(24)23-7-9-25-10-8-23/h4-5,11-13,19,22H,1-3,6-10H2.
What are the key properties of 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine?
4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine has a molecular weight of 363.86 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(3-chloro-4-fluorophenyl)-1H-pyrrol-2-yl]piperidin-2-yl]morpholine is sourced from PubChem (CID 57251870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).