spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)

C17H20F6N2O4 — CID 139512147

IUPACspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1c2ccccc2CC12CCNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N2.2C2HF3O2/c14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13;2*3-2(4,5)1(6)7/h1-4,12,15H,5-9,14H2;2*(H,6,7)
InChIKeyYWYYWUNJXOHAJT-UHFFFAOYSA-N
MW430.35 g/mol
LogP2.88
Rot. Bonds

About spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)

spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 139512147) has the molecular formula C17H20F6N2O4 and a molecular weight of 430.35 g/mol. Its IUPAC name is spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namespiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID139512147
Molecular FormulaC17H20F6N2O4
Molecular Weight430.35 g/mol
Exact Mass430.13
IUPAC Namespiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1c2ccccc2CC12CCNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N2.2C2HF3O2/c14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13;2*3-2(4,5)1(6)7/h1-4,12,15H,5-9,14H2;2*(H,6,7)
InChIKeyYWYYWUNJXOHAJT-UHFFFAOYSA-N
XLogP2.88
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1',6-Dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 118743339
1,1-Dimethyl-3-(6-methyl-1'-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)urea;2,2,2-trifluoroacetic acid
CID 118743341
1-(1'-Ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-3-methylurea;2,2,2-trifluoroacetic acid
CID 118744087
3-(1'-Ethyl-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1,1-dimethylurea;2,2,2-trifluoroacetic acid
CID 118744090
N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 118744717
2-(5-Fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 118744822
N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;2,2,2-trifluoroacetic acid
CID 118744826
N-[1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 118744853
N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 118744861
2-[1-(Dimethylamino)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethanol;bis(2,2,2-trifluoroacetic acid)
CID 118745800
Spiro[indene-1,4'-piperidine] trifluoroacetate
CID 67087057
9H-fluoren-9-amine;2,2,2-trifluoroacetic acid
CID 67719353

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) (CID 139512147) is spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) is NC1c2ccccc2CC12CCNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YWYYWUNJXOHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.2C2HF3O2/c14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13;2*3-2(4,5)1(6)7/h1-4,12,15H,5-9,14H2;2*(H,6,7).
What are the key properties of spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)?
spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 430.35 g/mol, XLogP of 2.88, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 139512147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).