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

C91H95ClF10N12 — CID 167661063

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

6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] (PubChem CID 167661063) has the molecular formula C91H95ClF10N12 and a molecular weight of 1582.28 g/mol. Its IUPAC name is 6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine].

Molecular Properties

• Compound Name: 6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
• PubChem CID: 167661063
• Molecular Formula: C91H95ClF10N12
• Molecular Weight: 1582.28 g/mol
• Exact Mass: 1580.73
• IUPAC Name: 6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
• SMILES: Cc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)c(F)cc2F)CC1.Cc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)c(F)c2F)CC1.Cc1ccc2c3c([nH]c2c1)C1(CCN(Cc2ccc(F)cc2F)CC1)NCC3.Fc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Cl)cc23)c(F)c1
• InChI: InChI=1S/2C23H24F3N3.C23H25F2N3.C22H22ClF2N3/c1-14-2-5-19-17(12-14)16-6-9-27-23(22(16)28-19)7-10-29(11-8-23)13-15-3-4-18(24)21(26)20(15)25;1-14-2-3-21-17(10-14)16-4-7-27-23(22(16)28-21)5-8-29(9-6-23)13-15-11-19(25)20(26)12-18(15)24;1-15-2-5-18-19-6-9-26-23(22(19)27-21(18)12-15)7-10-28(11-8-23)14-16-3-4-17(24)13-20(16)25;23-15-2-4-20-18(11-15)17-5-8-26-22(21(17)27-20)6-9-28(10-7-22)13-14-1-3-16(24)12-19(14)25/h2-5,12,27-28H,6-11,13H2,1H3;2-3,10-12,27-28H,4-9,13H2,1H3;2-5,12-13,26-27H,6-11,14H2,1H3;1-4,11-12,26-27H,5-10,13H2
• InChIKey: RYTMWGDCAUOLQK-UHFFFAOYSA-N
• XLogP: 18.19
• 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	1582.28
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] (CID 167661063) is 6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine].

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

The canonical SMILES for 6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] is Cc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2cc(F)c(F)cc2F)CC1.Cc1ccc2[nH]c3c(c2c1)CCNC31CCN(Cc2ccc(F)c(F)c2F)CC1.Cc1ccc2c3c([nH]c2c1)C1(CCN(Cc2ccc(F)cc2F)CC1)NCC3.Fc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Cl)cc23)c(F)c1.

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

The InChIKey is RYTMWGDCAUOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24F3N3.C23H25F2N3.C22H22ClF2N3/c1-14-2-5-19-17(12-14)16-6-9-27-23(22(16)28-19)7-10-29(11-8-23)13-15-3-4-18(24)21(26)20(15)25;1-14-2-3-21-17(10-14)16-4-7-27-23(22(16)28-21)5-8-29(9-6-23)13-15-11-19(25)20(26)12-18(15)24;1-15-2-5-18-19-6-9-26-23(22(19)27-21(18)12-15)7-10-28(11-8-23)14-16-3-4-17(24)13-20(16)25;23-15-2-4-20-18(11-15)17-5-8-26-22(21(17)27-20)6-9-28(10-7-22)13-14-1-3-16(24)12-19(14)25/h2-5,12,27-28H,6-11,13H2,1H3;2-3,10-12,27-28H,4-9,13H2,1H3;2-5,12-13,26-27H,6-11,14H2,1H3;1-4,11-12,26-27H,5-10,13H2.

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

6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] has a molecular weight of 1582.28 g/mol, XLogP of 18.19, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1'-[(2,4-difluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(2,4-difluorophenyl)methyl]-7-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,3,4-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methyl-1'-[(2,4,5-trifluorophenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] is sourced from PubChem (CID 167661063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).