2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine

C147H197Cl12F7N10O — CID 158895776

About 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine

2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine (PubChem CID 158895776) has the molecular formula C147H197Cl12F7N10O and a molecular weight of 2678.68 g/mol. Its IUPAC name is 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine
• PubChem CID: 158895776
• Molecular Formula: C147H197Cl12F7N10O
• Molecular Weight: 2678.68 g/mol
• Exact Mass: 2671.18
• IUPAC Name: 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine
• SMILES: CC(C)(C)C1CCN(Cc2cc(F)c(Cl)cc2Cl)CC1.CC(C)(C)C1CCN([C@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)C1(C)CN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)C1.CC(C)C1(C)CN([C@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)C1.CC(C)C1CCN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)CC1.CC(C)Nc1ccc(F)cc1CN1CCC(C(C)(C)C)CC1.CCC(C)Oc1ncc(CN2CCC(F)(C(C)C)CC2)cc1Cl.Cc1ccc(Cl)c(CN2CCC(F)(C(C)C)CC2)c1
• InChI: InChI=1S/C21H25Cl2N.2C20H23Cl2N.C19H31FN2.C18H28ClFN2O.C17H22Cl2F3N.C16H22Cl2FN.C16H23ClFN/c1-15(2)16-8-10-24(11-9-16)21(17-6-4-3-5-7-17)18-12-19(22)14-20(23)13-18;2*1-14(2)20(3)12-23(13-20)19(15-7-5-4-6-8-15)16-9-17(21)11-18(22)10-16;1-14(2)21-18-7-6-17(20)12-15(18)13-22-10-8-16(9-11-22)19(3,4)5;1-5-14(4)23-17-16(19)10-15(11-21-17)12-22-8-6-18(20,7-9-22)13(2)3;1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;1-16(2,3)12-4-6-20(7-5-12)10-11-8-15(19)14(18)9-13(11)17;1-12(2)16(18)6-8-19(9-7-16)11-14-10-13(3)4-5-15(14)17/h3-7,12-16,21H,8-11H2,1-2H3;2*4-11,14,19H,12-13H2,1-3H3;6-7,12,14,16,21H,8-11,13H2,1-5H3;10-11,13-14H,5-9,12H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;8-9,12H,4-7,10H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3/t21-;2*19-;;;15-;;/m010..1../s1
• InChIKey: JEUTVBOAGJASTJ-IWZUUVLESA-N
• XLogP: 44.70
• TPSA: 60.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 29
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2678.68
LogP ≤ 5	44.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine?

The IUPAC name of 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine (CID 158895776) is 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine.

What is the SMILES notation for 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine?

The canonical SMILES for 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine is CC(C)(C)C1CCN(Cc2cc(F)c(Cl)cc2Cl)CC1.CC(C)(C)C1CCN([C@H](c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)C1(C)CN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)C1.CC(C)C1(C)CN([C@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)C1.CC(C)C1CCN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)CC1.CC(C)Nc1ccc(F)cc1CN1CCC(C(C)(C)C)CC1.CCC(C)Oc1ncc(CN2CCC(F)(C(C)C)CC2)cc1Cl.Cc1ccc(Cl)c(CN2CCC(F)(C(C)C)CC2)c1.

What is the InChIKey of 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine?

The InChIKey is JEUTVBOAGJASTJ-IWZUUVLESA-N. The full InChI is InChI=1S/C21H25Cl2N.2C20H23Cl2N.C19H31FN2.C18H28ClFN2O.C17H22Cl2F3N.C16H22Cl2FN.C16H23ClFN/c1-15(2)16-8-10-24(11-9-16)21(17-6-4-3-5-7-17)18-12-19(22)14-20(23)13-18;2*1-14(2)20(3)12-23(13-20)19(15-7-5-4-6-8-15)16-9-17(21)11-18(22)10-16;1-14(2)21-18-7-6-17(20)12-15(18)13-22-10-8-16(9-11-22)19(3,4)5;1-5-14(4)23-17-16(19)10-15(11-21-17)12-22-8-6-18(20,7-9-22)13(2)3;1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;1-16(2,3)12-4-6-20(7-5-12)10-11-8-15(19)14(18)9-13(11)17;1-12(2)16(18)6-8-19(9-7-16)11-14-10-13(3)4-5-15(14)17/h3-7,12-16,21H,8-11H2,1-2H3;2*4-11,14,19H,12-13H2,1-3H3;6-7,12,14,16,21H,8-11,13H2,1-5H3;10-11,13-14H,5-9,12H2,1-4H3;8-10,12,15H,4-7H2,1-3H3;8-9,12H,4-7,10H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3/t21-;2*19-;;;15-;;/m010..1../s1.

What are the key properties of 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine?

2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine has a molecular weight of 2678.68 g/mol, XLogP of 44.70, 29 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-yloxy-3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]pyridine;4-tert-butyl-1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;2-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoro-N-propan-2-ylaniline;1-[(2-chloro-5-methylphenyl)methyl]-4-fluoro-4-propan-2-ylpiperidine;1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-3-methyl-3-propan-2-ylazetidine;1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 158895776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).