1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium

C126H151F15N29O10S5+ — CID 159651731

About 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium

1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium (PubChem CID 159651731) has the molecular formula C126H151F15N29O10S5+ and a molecular weight of 2677.09 g/mol. Its IUPAC name is 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium.

Molecular Properties

• Compound Name: 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium
• PubChem CID: 159651731
• Molecular Formula: C126H151F15N29O10S5+
• Molecular Weight: 2677.09 g/mol
• Exact Mass: 2675.06
• IUPAC Name: 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium
• SMILES: CCCCN1CCC(c2ccc(-c3ccc(C(F)(F)F)c(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCNC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@H]4CCCN4)CC3)cc2)c1-c1nn[nH]n1.C[N+](C)(C)CCN1CCC(c2ccc(-c3ccc(C(F)(F)F)c(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1
• InChI: InChI=1S/2C26H31F3N6O2S.C25H29F3N6O2S.C25H32F3N6O2S.C24H28F3N5O2S/c1-38(36,37)24-22(26(27,28)29)9-8-21(23(24)25-31-33-34-32-25)20-6-4-18(5-7-20)19-10-13-35(14-11-19)16-17-3-2-12-30-15-17;1-38(36,37)24-22(26(27,28)29)10-9-21(23(24)25-31-33-34-32-25)19-7-5-17(6-8-19)18-11-14-35(15-12-18)16-20-4-2-3-13-30-20;1-37(35,36)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)18-6-4-16(5-7-18)17-10-13-34(14-11-17)15-19-3-2-12-29-19;1-34(2,3)16-15-33-13-11-18(12-14-33)17-5-7-19(8-6-17)20-9-10-21(25(26,27)28)23(37(4,35)36)22(20)24-29-31-32-30-24;1-3-4-13-32-14-11-17(12-15-32)16-5-7-18(8-6-16)19-9-10-20(24(25,26)27)22(35(2,33)34)21(19)23-28-30-31-29-23/h4-9,17,19,30H,2-3,10-16H2,1H3,(H,31,32,33,34);5-10,18,20,30H,2-4,11-16H2,1H3,(H,31,32,33,34);4-9,17,19,29H,2-3,10-15H2,1H3,(H,30,31,32,33);5-10,18H,11-16H2,1-4H3,(H,29,30,31,32);5-10,17H,3-4,11-15H2,1-2H3,(H,28,29,30,31)/q;;;+1;/t;;19-;;/m..1../s1
• InChIKey: ZUERJBPKMRTBGG-FMFUZOLZSA-N
• XLogP: 21.08
• TPSA: 495.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2677.09
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium?

The IUPAC name of 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium (CID 159651731) is 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium.

What is the SMILES notation for 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium?

The canonical SMILES for 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium is CCCCN1CCC(c2ccc(-c3ccc(C(F)(F)F)c(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCCN4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCCNC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C[C@H]4CCCN4)CC3)cc2)c1-c1nn[nH]n1.C[N+](C)(C)CCN1CCC(c2ccc(-c3ccc(C(F)(F)F)c(S(C)(=O)=O)c3-c3nn[nH]n3)cc2)CC1.

What is the InChIKey of 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium?

The InChIKey is ZUERJBPKMRTBGG-FMFUZOLZSA-N. The full InChI is InChI=1S/2C26H31F3N6O2S.C25H29F3N6O2S.C25H32F3N6O2S.C24H28F3N5O2S/c1-38(36,37)24-22(26(27,28)29)9-8-21(23(24)25-31-33-34-32-25)20-6-4-18(5-7-20)19-10-13-35(14-11-19)16-17-3-2-12-30-15-17;1-38(36,37)24-22(26(27,28)29)10-9-21(23(24)25-31-33-34-32-25)19-7-5-17(6-8-19)18-11-14-35(15-12-18)16-20-4-2-3-13-30-20;1-37(35,36)23-21(25(26,27)28)9-8-20(22(23)24-30-32-33-31-24)18-6-4-16(5-7-18)17-10-13-34(14-11-17)15-19-3-2-12-29-19;1-34(2,3)16-15-33-13-11-18(12-14-33)17-5-7-19(8-6-17)20-9-10-21(25(26,27)28)23(37(4,35)36)22(20)24-29-31-32-30-24;1-3-4-13-32-14-11-17(12-15-32)16-5-7-18(8-6-16)19-9-10-20(24(25,26)27)22(35(2,33)34)21(19)23-28-30-31-29-23/h4-9,17,19,30H,2-3,10-16H2,1H3,(H,31,32,33,34);5-10,18,20,30H,2-4,11-16H2,1H3,(H,31,32,33,34);4-9,17,19,29H,2-3,10-15H2,1H3,(H,30,31,32,33);5-10,18H,11-16H2,1-4H3,(H,29,30,31,32);5-10,17H,3-4,11-15H2,1-2H3,(H,28,29,30,31)/q;;;+1;/t;;19-;;/m..1../s1.

What are the key properties of 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium?

1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium has a molecular weight of 2677.09 g/mol, XLogP of 21.08, 32 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-2-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(piperidin-3-ylmethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine;trimethyl-[2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]ethyl]azanium is sourced from PubChem (CID 159651731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).