[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

C19H28ClFN2O3 — CID 120635305

IUPAC[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CC(C)OC(c3ccc(F)cc3)C2)CCNCC1.Cl
InChIInChI=1S/C19H27FN2O3.ClH/c1-14-11-22(12-17(25-14)15-3-5-16(20)6-4-15)18(23)19(13-24-2)7-9-21-10-8-19;/h3-6,14,17,21H,7-13H2,1-2H3;1H
InChIKeyOFVFQGXVOBAXJV-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.55
Rot. Bonds4

About [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120635305) has the molecular formula C19H28ClFN2O3 and a molecular weight of 386.90 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120635305
Molecular FormulaC19H28ClFN2O3
Molecular Weight386.90 g/mol
Exact Mass386.18
IUPAC Name[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CC(C)OC(c3ccc(F)cc3)C2)CCNCC1.Cl
InChIInChI=1S/C19H27FN2O3.ClH/c1-14-11-22(12-17(25-14)15-3-5-16(20)6-4-15)18(23)19(13-24-2)7-9-21-10-8-19;/h3-6,14,17,21H,7-13H2,1-2H3;1H
InChIKeyOFVFQGXVOBAXJV-UHFFFAOYSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (CID 120635305) is [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is COCC1(C(=O)N2CC(C)OC(c3ccc(F)cc3)C2)CCNCC1.Cl.
What is the InChIKey of [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is OFVFQGXVOBAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3.ClH/c1-14-11-22(12-17(25-14)15-3-5-16(20)6-4-15)18(23)19(13-24-2)7-9-21-10-8-19;/h3-6,14,17,21H,7-13H2,1-2H3;1H.
What are the key properties of [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 386.90 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120635305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).