[4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid

C14H18F3N3O3 — CID 146272560

IUPAC[4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CC3(CNC3)C2)cc(CO)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O.C2HF3O2/c1-9-2-11(3-10(4-16)14-9)15-7-12(8-15)5-13-6-12;3-2(4,5)1(6)7/h2-3,13,16H,4-8H2,1H3;(H,6,7)
InChIKeyBSLLUUDCSIKMMY-UHFFFAOYSA-N
MW333.31 g/mol
LogP0.93
Rot. Bonds2

About [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid

[4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 146272560) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid
PubChem CID146272560
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name[4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CC3(CNC3)C2)cc(CO)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O.C2HF3O2/c1-9-2-11(3-10(4-16)14-9)15-7-12(8-15)5-13-6-12;3-2(4,5)1(6)7/h2-3,13,16H,4-8H2,1H3;(H,6,7)
InChIKeyBSLLUUDCSIKMMY-UHFFFAOYSA-N
XLogP0.93
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid (CID 146272560) is [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid is Cc1cc(N2CC3(CNC3)C2)cc(CO)n1.O=C(O)C(F)(F)F.
What is the InChIKey of [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is BSLLUUDCSIKMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.C2HF3O2/c1-9-2-11(3-10(4-16)14-9)15-7-12(8-15)5-13-6-12;3-2(4,5)1(6)7/h2-3,13,16H,4-8H2,1H3;(H,6,7).
What are the key properties of [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid?
[4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 333.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-diazaspiro[3.3]heptan-2-yl)-6-methyl-2-pyridinyl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146272560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).