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

C26H34F6N2O5 — CID 155841515

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

1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155841515) has the molecular formula C26H34F6N2O5 and a molecular weight of 568.56 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155841515
• Molecular Formula: C26H34F6N2O5
• Molecular Weight: 568.56 g/mol
• Exact Mass: 568.24
• IUPAC Name: 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc2c(c1)C(NCC1CCOC1)CC21CCN(CC2CC2)CC1
• InChI: InChI=1S/C22H32N2O.2C2HF3O2/c1-2-4-20-19(3-1)21(23-14-18-7-12-25-16-18)13-22(20)8-10-24(11-9-22)15-17-5-6-17;2*3-2(4,5)1(6)7/h1-4,17-18,21,23H,5-16H2;2*(H,6,7)
• InChIKey: HEEZDYKGZWSPOP-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 99.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.56
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) (CID 155841515) is 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc2c(c1)C(NCC1CCOC1)CC21CCN(CC2CC2)CC1.

What is the InChIKey of 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is HEEZDYKGZWSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.2C2HF3O2/c1-2-4-20-19(3-1)21(23-14-18-7-12-25-16-18)13-22(20)8-10-24(11-9-22)15-17-5-6-17;2*3-2(4,5)1(6)7/h1-4,17-18,21,23H,5-16H2;2*(H,6,7).

What are the key properties of 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid)?

1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 568.56 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(cyclopropylmethyl)-N-(oxolan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155841515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).