7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane

C21H37F3N2 — CID 174335013

IUPAC7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane
SMILESCC(C)C1CCC2(CC1)CN(C(C)(C)C1CCN(CC(F)(F)F)CC1)C2
InChIInChI=1S/C21H37F3N2/c1-16(2)17-5-9-20(10-6-17)13-26(14-20)19(3,4)18-7-11-25(12-8-18)15-21(22,23)24/h16-18H,5-15H2,1-4H3
InChIKeyAOQYWZKGYACCMT-UHFFFAOYSA-N
MW374.54 g/mol
LogP5.19
Rot. Bonds4

About 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane

7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane (PubChem CID 174335013) has the molecular formula C21H37F3N2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane
PubChem CID174335013
Molecular FormulaC21H37F3N2
Molecular Weight374.54 g/mol
Exact Mass374.29
IUPAC Name7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane
SMILESCC(C)C1CCC2(CC1)CN(C(C)(C)C1CCN(CC(F)(F)F)CC1)C2
InChIInChI=1S/C21H37F3N2/c1-16(2)17-5-9-20(10-6-17)13-26(14-20)19(3,4)18-7-11-25(12-8-18)15-21(22,23)24/h16-18H,5-15H2,1-4H3
InChIKeyAOQYWZKGYACCMT-UHFFFAOYSA-N
XLogP5.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane?
The IUPAC name of 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane (CID 174335013) is 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane is CC(C)C1CCC2(CC1)CN(C(C)(C)C1CCN(CC(F)(F)F)CC1)C2.
What is the InChIKey of 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane?
The InChIKey is AOQYWZKGYACCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37F3N2/c1-16(2)17-5-9-20(10-6-17)13-26(14-20)19(3,4)18-7-11-25(12-8-18)15-21(22,23)24/h16-18H,5-15H2,1-4H3.
What are the key properties of 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane?
7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane has a molecular weight of 374.54 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 174335013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).