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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Related Compounds

4-(2-{4-[Bis(4-fluoro-phenyl)-methyl]piperazine-1-yl}-ethyl)-morpholine
CID 44414004
2-(1-Benzylpiperidin-4-yl)-4-ethylmorpholine
CID 129053792
2-[4-[1-[(2-Fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 762881
2-{4-[1-(4-Fluorobenzyl)piperidin-4-yl]piperazin-1-yl}ethanol
CID 1121660
9-Benzyl-2,4-dimethyl-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 44444686
N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1-(2-fluorobenzyl)-3-piperidinamine
CID 45238596
1-(2-fluorobenzyl)-N-(tetrahydro-2H-pyran-4-yl)-3-piperidinamine
CID 45240052
(3R,4R)-1-(3-fluorobenzyl)-4-methyl-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
CID 87053297
(3R,4R)-1-(2,3-difluorobenzyl)-4-methyl-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
CID 87053313
1-[(2-Fluorophenyl)methyl]-4-methyl-3-(pyrrolidin-1-YL)piperidin-4-OL
CID 91653984
(1R,3aR,7aR)-5-[(3-fluorophenyl)methyl]-1-[(4-methylpiperazin-1-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97459790
(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156017

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).