4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid

C15H24F3NO4 — CID 155835166

IUPAC4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
SMILESC1COC2CCNCC2(COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23NO2.C2HF3O2/c1-5-13(10-15-8-11-2-3-11)9-14-6-4-12(13)16-7-1;3-2(4,5)1(6)7/h11-12,14H,1-10H2;(H,6,7)
InChIKeyWSBSURNFUMNIDJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.20
Rot. Bonds4

About 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid

4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155835166) has the molecular formula C15H24F3NO4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155835166
Molecular FormulaC15H24F3NO4
Molecular Weight339.35 g/mol
Exact Mass339.17
IUPAC Name4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
SMILESC1COC2CCNCC2(COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23NO2.C2HF3O2/c1-5-13(10-15-8-11-2-3-11)9-14-6-4-12(13)16-7-1;3-2(4,5)1(6)7/h11-12,14H,1-10H2;(H,6,7)
InChIKeyWSBSURNFUMNIDJ-UHFFFAOYSA-N
XLogP2.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4a-(oxan-4-ylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 131638253
4a-(cyclopropylmethoxymethyl)-6-(thiophen-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155850027
4a-(prop-2-enoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;hydrochloride
CID 155849853
4a-(cyclopropylmethoxymethyl)-6-(furan-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155859538
6-(2-methoxyethyl)-4a-(oxan-4-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155859448
(3aS,6aR)-3a-(cyclopentylmethoxymethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155859597
4a-(cyclopropylmethoxymethyl)-6-(pyridin-3-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155845712
(4aR,8aS)-4a-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 97379764
(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-carboxamide
CID 97379763
[(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-cyclopent-3-en-1-ylmethanone
CID 97363898
1-[4a-(cyclopropylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-2-methylsulfonylethanone
CID 131650668
(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-6-cyclopropylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98816458

Frequently Asked Questions

What is the IUPAC name of 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid (CID 155835166) is 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid is C1COC2CCNCC2(COCC2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is WSBSURNFUMNIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.C2HF3O2/c1-5-13(10-15-8-11-2-3-11)9-14-6-4-12(13)16-7-1;3-2(4,5)1(6)7/h11-12,14H,1-10H2;(H,6,7).
What are the key properties of 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid?
4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 339.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(cyclopropylmethoxymethyl)-2,3,4,5,6,7,8,8a-octahydropyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155835166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).