(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane

C15H19F3N2O — CID 124977238

IUPAC(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(C[C@@H]2COC3(CCNCC3)C2)nc1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-1-2-13(20-9-12)7-11-8-14(21-10-11)3-5-19-6-4-14/h1-2,9,11,19H,3-8,10H2/t11-/m0/s1
InChIKeyLKWLYNVKIWBRJK-NSHDSACASA-N
MW300.32 g/mol
LogP2.80
Rot. Bonds2

About (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane

(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 124977238) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID124977238
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(C[C@@H]2COC3(CCNCC3)C2)nc1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-1-2-13(20-9-12)7-11-8-14(21-10-11)3-5-19-6-4-14/h1-2,9,11,19H,3-8,10H2/t11-/m0/s1
InChIKeyLKWLYNVKIWBRJK-NSHDSACASA-N
XLogP2.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977237
3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110131042
(3R)-3-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124640971
(3R)-3-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-1-oxa-8-azaspiro[4.5]decane
CID 67402669
4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 73439156
(3R)-3-(quinolin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124971681
N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine
CID 156720665
(3R)-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124978658
3-[(4-chlorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 73439149
1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58563887
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930637
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 162536610

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane (CID 124977238) is (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane is FC(F)(F)c1ccc(C[C@@H]2COC3(CCNCC3)C2)nc1.
What is the InChIKey of (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is LKWLYNVKIWBRJK-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-1-2-13(20-9-12)7-11-8-14(21-10-11)3-5-19-6-4-14/h1-2,9,11,19H,3-8,10H2/t11-/m0/s1.
What are the key properties of (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 300.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 124977238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).