9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

C15H21FN2O — CID 97409218

IUPAC9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCOCC12CCN(c1ccccc1F)CC2
InChIInChI=1S/C15H21FN2O/c1-17-10-11-19-12-15(17)6-8-18(9-7-15)14-5-3-2-4-13(14)16/h2-5H,6-12H2,1H3
InChIKeyQIQJQBBRGQLUEF-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.13
Rot. Bonds1

About 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97409218) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97409218
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCOCC12CCN(c1ccccc1F)CC2
InChIInChI=1S/C15H21FN2O/c1-17-10-11-19-12-15(17)6-8-18(9-7-15)14-5-3-2-4-13(14)16/h2-5H,6-12H2,1H3
InChIKeyQIQJQBBRGQLUEF-UHFFFAOYSA-N
XLogP2.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11355855
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4-(3-Fluorophenyl)morpholine
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1-Benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
CID 3047724
Benzenamine, N,N-dimethyl-4-(4-morpholinyl)-
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US10689398, Example 20
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4-[2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl]morpholine
CID 1439340
(3S*,4R*)-1'-(4-fluorophenyl)-4-methyl-1,4'-bipiperidine-3,4-diol
CID 74232104
1-(3-Fluorophenyl)-3-methoxy-1,7-diazaspiro[3.5]nonane
CID 86820573
7-(Cyclohexylmethyl)-1-(3-fluorophenyl)-1,7-diazaspiro[3.5]non-3-yl methyl ether
CID 91923671
4-(1-Ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)benzonitrile
CID 97396256

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97409218) is 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is CN1CCOCC12CCN(c1ccccc1F)CC2.
What is the InChIKey of 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is QIQJQBBRGQLUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-17-10-11-19-12-15(17)6-8-18(9-7-15)14-5-3-2-4-13(14)16/h2-5H,6-12H2,1H3.
What are the key properties of 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 264.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97409218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).