8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

C20H30FN3O — CID 118747191

IUPAC8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCN(C2COC3(CCN(Cc4ccc(F)cc4)CC3)C2)CC1
InChIInChI=1S/C20H30FN3O/c1-22-10-12-24(13-11-22)19-14-20(25-16-19)6-8-23(9-7-20)15-17-2-4-18(21)5-3-17/h2-5,19H,6-16H2,1H3
InChIKeyDIUUISAIHRPCCU-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.20
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118747191) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID118747191
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCN(C2COC3(CCN(Cc4ccc(F)cc4)CC3)C2)CC1
InChIInChI=1S/C20H30FN3O/c1-22-10-12-24(13-11-22)19-14-20(25-16-19)6-8-23(9-7-20)15-17-2-4-18(21)5-3-17/h2-5,19H,6-16H2,1H3
InChIKeyDIUUISAIHRPCCU-UHFFFAOYSA-N
XLogP2.20
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (CID 118747191) is 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is CN1CCN(C2COC3(CCN(Cc4ccc(F)cc4)CC3)C2)CC1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is DIUUISAIHRPCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-22-10-12-24(13-11-22)19-14-20(25-16-19)6-8-23(9-7-20)15-17-2-4-18(21)5-3-17/h2-5,19H,6-16H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 347.48 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118747191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).