(4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate

C18H26FN3O3 — CID 42634356

IUPAC(4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate
SMILESCN1CCOC(COC(=O)N2CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H26FN3O3/c1-20-10-11-24-17(13-20)14-25-18(23)22-8-6-21(7-9-22)12-15-2-4-16(19)5-3-15/h2-5,17H,6-14H2,1H3
InChIKeyFZBDROUTEWUHNQ-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.41
Rot. Bonds4

About (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate

(4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate (PubChem CID 42634356) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate
PubChem CID42634356
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name(4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate
SMILESCN1CCOC(COC(=O)N2CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H26FN3O3/c1-20-10-11-24-17(13-20)14-25-18(23)22-8-6-21(7-9-22)12-15-2-4-16(19)5-3-15/h2-5,17H,6-14H2,1H3
InChIKeyFZBDROUTEWUHNQ-UHFFFAOYSA-N
XLogP1.41
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate (CID 42634356) is (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate is CN1CCOC(COC(=O)N2CCN(Cc3ccc(F)cc3)CC2)C1.
What is the InChIKey of (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate?
The InChIKey is FZBDROUTEWUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-20-10-11-24-17(13-20)14-25-18(23)22-8-6-21(7-9-22)12-15-2-4-16(19)5-3-15/h2-5,17H,6-14H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate?
(4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate has a molecular weight of 351.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)methyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 42634356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).