6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]

C95H107ClF6N12 — CID 167574670

About 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]

6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] (PubChem CID 167574670) has the molecular formula C95H107ClF6N12 and a molecular weight of 1566.43 g/mol. Its IUPAC name is 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine].

Molecular Properties

• Compound Name: 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
• PubChem CID: 167574670
• Molecular Formula: C95H107ClF6N12
• Molecular Weight: 1566.43 g/mol
• Exact Mass: 1564.83
• IUPAC Name: 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
• SMILES: Cc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3cc(C)ccc23)c(F)c1.Cc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Cl)cc23)c(F)c1.Cc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)c(C)cc2F)CC1.Cc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(C)c(F)c2F)CC1
• InChI: InChI=1S/2C24H27F2N3.C24H28FN3.C23H25ClFN3/c1-15-3-6-20-19(13-15)18-7-10-27-24(23(18)28-20)8-11-29(12-9-24)14-17-5-4-16(2)21(25)22(17)26;1-15-3-4-22-19(11-15)18-5-8-27-24(23(18)28-22)6-9-29(10-7-24)14-17-13-20(25)16(2)12-21(17)26;1-16-3-5-18(21(25)13-16)15-28-11-8-24(9-12-28)23-20(7-10-26-24)19-6-4-17(2)14-22(19)27-23;1-15-2-3-16(20(25)12-15)14-28-10-7-23(8-11-28)22-18(6-9-26-23)19-13-17(24)4-5-21(19)27-22/h3-6,13,27-28H,7-12,14H2,1-2H3;3-4,11-13,27-28H,5-10,14H2,1-2H3;3-6,13-14,26-27H,7-12,15H2,1-2H3;2-5,12-13,26-27H,6-11,14H2,1H3
• InChIKey: GJAYWSILDGZZQG-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 124.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1566.43
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]?

The IUPAC name of 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] (CID 167574670) is 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine].

What is the SMILES notation for 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]?

The canonical SMILES for 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] is Cc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3cc(C)ccc23)c(F)c1.Cc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Cl)cc23)c(F)c1.Cc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)c(C)cc2F)CC1.Cc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(C)c(F)c2F)CC1.

What is the InChIKey of 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]?

The InChIKey is GJAYWSILDGZZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27F2N3.C24H28FN3.C23H25ClFN3/c1-15-3-6-20-19(13-15)18-7-10-27-24(23(18)28-20)8-11-29(12-9-24)14-17-5-4-16(2)21(25)22(17)26;1-15-3-4-22-19(11-15)18-5-8-27-24(23(18)28-22)6-9-29(10-7-24)14-17-13-20(25)16(2)12-21(17)26;1-16-3-5-18(21(25)13-16)15-28-11-8-24(9-12-28)23-20(7-10-26-24)19-6-4-17(2)14-22(19)27-23;1-15-2-3-16(20(25)12-15)14-28-10-7-23(8-11-28)22-18(6-9-26-23)19-13-17(24)4-5-21(19)27-22/h3-6,13,27-28H,7-12,14H2,1-2H3;3-4,11-13,27-28H,5-10,14H2,1-2H3;3-6,13-14,26-27H,7-12,15H2,1-2H3;2-5,12-13,26-27H,6-11,14H2,1H3.

What are the key properties of 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]?

6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] has a molecular weight of 1566.43 g/mol, XLogP of 18.87, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,5-difluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2-fluoro-4-methylphenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] is sourced from PubChem (CID 167574670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).