4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine

C96H136Cl4F10N6O2 — CID 159735593

IUPAC4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine
SMILESCC(C)(C)C1CCN(Cc2cc(Cl)cc(OC(F)(F)F)c2)CC1.CC(C)(C)C1CCN(Cc2ccc(Cl)c(F)c2)CC1.CC(C)C1(F)CN(Cc2ccc(Cl)cc2C(F)(F)F)C1.CC(C)COc1ncc(C(C)(C)C)cc1C1CC1.Cc1cc(Cl)c(F)c(CN2CCC(C(C)C)CC2)c1.Cc1ccc(F)c(CN2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H23ClF3NO.C17H26FN.2C16H23ClFN.C16H25NO.C14H16ClF4N/c1-16(2,3)13-4-6-22(7-5-13)11-12-8-14(18)10-15(9-12)23-17(19,20)21;1-13-5-6-16(18)14(11-13)12-19-9-7-15(8-10-19)17(2,3)4;1-11(2)13-4-6-19(7-5-13)10-14-8-12(3)9-15(17)16(14)18;1-16(2,3)13-6-8-19(9-7-13)11-12-4-5-14(17)15(18)10-12;1-11(2)10-18-15-14(12-6-7-12)8-13(9-17-15)16(3,4)5;1-9(2)13(16)7-20(8-13)6-10-3-4-11(15)5-12(10)14(17,18)19/h8-10,13H,4-7,11H2,1-3H3;5-6,11,15H,7-10,12H2,1-4H3;8-9,11,13H,4-7,10H2,1-3H3;4-5,10,13H,6-9,11H2,1-3H3;8-9,11-12H,6-7,10H2,1-5H3;3-5,9H,6-8H2,1-2H3
InChIKeyNBUJEKGMIDGGRQ-UHFFFAOYSA-N
MW1737.98 g/mol
LogP28.11
Rot. Bonds17

About 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine

4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine (PubChem CID 159735593) has the molecular formula C96H136Cl4F10N6O2 and a molecular weight of 1737.98 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine
PubChem CID159735593
Molecular FormulaC96H136Cl4F10N6O2
Molecular Weight1737.98 g/mol
Exact Mass1734.93
IUPAC Name4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine
SMILESCC(C)(C)C1CCN(Cc2cc(Cl)cc(OC(F)(F)F)c2)CC1.CC(C)(C)C1CCN(Cc2ccc(Cl)c(F)c2)CC1.CC(C)C1(F)CN(Cc2ccc(Cl)cc2C(F)(F)F)C1.CC(C)COc1ncc(C(C)(C)C)cc1C1CC1.Cc1cc(Cl)c(F)c(CN2CCC(C(C)C)CC2)c1.Cc1ccc(F)c(CN2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H23ClF3NO.C17H26FN.2C16H23ClFN.C16H25NO.C14H16ClF4N/c1-16(2,3)13-4-6-22(7-5-13)11-12-8-14(18)10-15(9-12)23-17(19,20)21;1-13-5-6-16(18)14(11-13)12-19-9-7-15(8-10-19)17(2,3)4;1-11(2)13-4-6-19(7-5-13)10-14-8-12(3)9-15(17)16(14)18;1-16(2,3)13-6-8-19(9-7-13)11-12-4-5-14(17)15(18)10-12;1-11(2)10-18-15-14(12-6-7-12)8-13(9-17-15)16(3,4)5;1-9(2)13(16)7-20(8-13)6-10-3-4-11(15)5-12(10)14(17,18)19/h8-10,13H,4-7,11H2,1-3H3;5-6,11,15H,7-10,12H2,1-4H3;8-9,11,13H,4-7,10H2,1-3H3;4-5,10,13H,6-9,11H2,1-3H3;8-9,11-12H,6-7,10H2,1-5H3;3-5,9H,6-8H2,1-2H3
InChIKeyNBUJEKGMIDGGRQ-UHFFFAOYSA-N
XLogP28.11
TPSA47.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001737.98
LogP ≤ 528.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine?
The IUPAC name of 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine (CID 159735593) is 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine.
What is the SMILES notation for 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine?
The canonical SMILES for 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine is CC(C)(C)C1CCN(Cc2cc(Cl)cc(OC(F)(F)F)c2)CC1.CC(C)(C)C1CCN(Cc2ccc(Cl)c(F)c2)CC1.CC(C)C1(F)CN(Cc2ccc(Cl)cc2C(F)(F)F)C1.CC(C)COc1ncc(C(C)(C)C)cc1C1CC1.Cc1cc(Cl)c(F)c(CN2CCC(C(C)C)CC2)c1.Cc1ccc(F)c(CN2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine?
The InChIKey is NBUJEKGMIDGGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF3NO.C17H26FN.2C16H23ClFN.C16H25NO.C14H16ClF4N/c1-16(2,3)13-4-6-22(7-5-13)11-12-8-14(18)10-15(9-12)23-17(19,20)21;1-13-5-6-16(18)14(11-13)12-19-9-7-15(8-10-19)17(2,3)4;1-11(2)13-4-6-19(7-5-13)10-14-8-12(3)9-15(17)16(14)18;1-16(2,3)13-6-8-19(9-7-13)11-12-4-5-14(17)15(18)10-12;1-11(2)10-18-15-14(12-6-7-12)8-13(9-17-15)16(3,4)5;1-9(2)13(16)7-20(8-13)6-10-3-4-11(15)5-12(10)14(17,18)19/h8-10,13H,4-7,11H2,1-3H3;5-6,11,15H,7-10,12H2,1-4H3;8-9,11,13H,4-7,10H2,1-3H3;4-5,10,13H,6-9,11H2,1-3H3;8-9,11-12H,6-7,10H2,1-5H3;3-5,9H,6-8H2,1-2H3.
What are the key properties of 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine?
4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine has a molecular weight of 1737.98 g/mol, XLogP of 28.11, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]piperidine;4-tert-butyl-1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidine;5-tert-butyl-3-cyclopropyl-2-(2-methylpropoxy)pyridine;4-tert-butyl-1-[(2-fluoro-5-methylphenyl)methyl]piperidine;1-[(3-chloro-2-fluoro-5-methylphenyl)methyl]-4-propan-2-ylpiperidine;1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine is sourced from PubChem (CID 159735593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).