2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane

C22H27FN2O2 — CID 170931542

IUPAC2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)(C)c1ccc(Oc2ccnc(N3CC4(CCOCC4)C3)c2)cc1F
InChIInChI=1S/C22H27FN2O2/c1-21(2,3)18-5-4-16(12-19(18)23)27-17-6-9-24-20(13-17)25-14-22(15-25)7-10-26-11-8-22/h4-6,9,12-13H,7-8,10-11,14-15H2,1-3H3
InChIKeyCBUATCMJPNRQHE-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.93
Rot. Bonds3

About 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane

2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 170931542) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane
PubChem CID170931542
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane
SMILESCC(C)(C)c1ccc(Oc2ccnc(N3CC4(CCOCC4)C3)c2)cc1F
InChIInChI=1S/C22H27FN2O2/c1-21(2,3)18-5-4-16(12-19(18)23)27-17-6-9-24-20(13-17)25-14-22(15-25)7-10-26-11-8-22/h4-6,9,12-13H,7-8,10-11,14-15H2,1-3H3
InChIKeyCBUATCMJPNRQHE-UHFFFAOYSA-N
XLogP4.93
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(trifluoromethyl)-2-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
CID 171326415
[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid
CID 174192059
1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine
CID 170746872
1-tert-butyl-2-methoxybenzene;4-(4-tert-butyl-2-pyridinyl)morpholine
CID 165066762
9-(2-tert-butylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 126806735
1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene
CID 146377288
6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176626523
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
4-[(2,6-difluorophenyl)methyl]-2-[4-[[2-(2,5-dioxa-8-azaspiro[3.5]nonan-8-yl)-4-pyridinyl]oxy]phenyl]-1,2,4-triazol-3-one
CID 176769927
7-[5-(trifluoromethoxy)-2-pyridinyl]-2-oxa-7-azaspiro[4.4]nonane
CID 133493400
6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176625631
2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde
CID 142584201

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane (CID 170931542) is 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane is CC(C)(C)c1ccc(Oc2ccnc(N3CC4(CCOCC4)C3)c2)cc1F.
What is the InChIKey of 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane?
The InChIKey is CBUATCMJPNRQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-21(2,3)18-5-4-16(12-19(18)23)27-17-6-9-24-20(13-17)25-14-22(15-25)7-10-26-11-8-22/h4-6,9,12-13H,7-8,10-11,14-15H2,1-3H3.
What are the key properties of 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane?
2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 370.47 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-3-fluorophenoxy)-2-pyridinyl]-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 170931542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).