bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate

C66H69BrF8N20O4 — CID 158539553

About bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate

bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate (PubChem CID 158539553) has the molecular formula C66H69BrF8N20O4 and a molecular weight of 1438.30 g/mol. Its IUPAC name is bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate.

Molecular Properties

• Compound Name: bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate
• PubChem CID: 158539553
• Molecular Formula: C66H69BrF8N20O4
• Molecular Weight: 1438.30 g/mol
• Exact Mass: 1436.49
• IUPAC Name: bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate
• SMILES: CC(C)(C)OC(=O)NC1CN(c2ccc(C#N)c3nccnc23)CC(F)(F)C1.CC(C)(C)OC(=O)NC1CNCC(F)(F)C1.N#Cc1ccc(Br)c2nccnc12.N#Cc1ccc(N2CC(N)CC(F)(F)C2)c2nccnc12.N#Cc1ccc(N2CC(N)CC(F)(F)C2)c2nccnc12
• InChI: InChI=1S/C19H21F2N5O2.2C14H13F2N5.C10H18F2N2O2.C9H4BrN3/c1-18(2,3)28-17(27)25-13-8-19(20,21)11-26(10-13)14-5-4-12(9-22)15-16(14)24-7-6-23-15;2*15-14(16)5-10(18)7-21(8-14)11-2-1-9(6-17)12-13(11)20-4-3-19-12;1-9(2,3)16-8(15)14-7-4-10(11,12)6-13-5-7;10-7-2-1-6(5-11)8-9(7)13-4-3-12-8/h4-7,13H,8,10-11H2,1-3H3,(H,25,27);2*1-4,10H,5,7-8,18H2;7,13H,4-6H2,1-3H3,(H,14,15);1-4H
• InChIKey: HOISPANTHGDTPQ-UHFFFAOYSA-N
• XLogP: 10.36
• TPSA: 348.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 5
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.30
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate?

The IUPAC name of bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate (CID 158539553) is bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate.

What is the SMILES notation for bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate?

The canonical SMILES for bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CN(c2ccc(C#N)c3nccnc23)CC(F)(F)C1.CC(C)(C)OC(=O)NC1CNCC(F)(F)C1.N#Cc1ccc(Br)c2nccnc12.N#Cc1ccc(N2CC(N)CC(F)(F)C2)c2nccnc12.N#Cc1ccc(N2CC(N)CC(F)(F)C2)c2nccnc12.

What is the InChIKey of bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate?

The InChIKey is HOISPANTHGDTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2.2C14H13F2N5.C10H18F2N2O2.C9H4BrN3/c1-18(2,3)28-17(27)25-13-8-19(20,21)11-26(10-13)14-5-4-12(9-22)15-16(14)24-7-6-23-15;2*15-14(16)5-10(18)7-21(8-14)11-2-1-9(6-17)12-13(11)20-4-3-19-12;1-9(2,3)16-8(15)14-7-4-10(11,12)6-13-5-7;10-7-2-1-6(5-11)8-9(7)13-4-3-12-8/h4-7,13H,8,10-11H2,1-3H3,(H,25,27);2*1-4,10H,5,7-8,18H2;7,13H,4-6H2,1-3H3,(H,14,15);1-4H.

What are the key properties of bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate?

bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate has a molecular weight of 1438.30 g/mol, XLogP of 10.36, 5 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-(5-amino-3,3-difluoropiperidin-1-yl)quinoxaline-5-carbonitrile);8-bromoquinoxaline-5-carbonitrile;tert-butyl N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]carbamate;tert-butyl N-(5,5-difluoropiperidin-3-yl)carbamate is sourced from PubChem (CID 158539553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).