2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate

C21H23F2N3O2 — CID 134543476

About 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate

2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 134543476) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
• PubChem CID: 134543476
• Molecular Formula: C21H23F2N3O2
• Molecular Weight: 387.43 g/mol
• Exact Mass: 387.18
• IUPAC Name: 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
• SMILES: O=C(OC1Cc2ccccc2C1)N1CC[C@H](CNc2ccncc2)C(F)(F)C1
• InChI: InChI=1S/C21H23F2N3O2/c22-21(23)14-26(10-7-17(21)13-25-18-5-8-24-9-6-18)20(27)28-19-11-15-3-1-2-4-16(15)12-19/h1-6,8-9,17,19H,7,10-14H2,(H,24,25)/t17-/m1/s1
• InChIKey: JYSYKUJUJXRNBK-QGZVFWFLSA-N
• XLogP: 3.75
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.43
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate?

The IUPAC name of 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate (CID 134543476) is 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate.

What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate?

The canonical SMILES for 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate is O=C(OC1Cc2ccccc2C1)N1CC[C@H](CNc2ccncc2)C(F)(F)C1.

What is the InChIKey of 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate?

The InChIKey is JYSYKUJUJXRNBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c22-21(23)14-26(10-7-17(21)13-25-18-5-8-24-9-6-18)20(27)28-19-11-15-3-1-2-4-16(15)12-19/h1-6,8-9,17,19H,7,10-14H2,(H,24,25)/t17-/m1/s1.

What are the key properties of 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate?

2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 387.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-inden-2-yl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 134543476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).