5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane

C156H248Cl13F5N6O — CID 161369711

IUPAC5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane
SMILESCC.CC.CC.CC.CC(C)(C)C12CCC(F)(CC1)CC2.CC(C)(C)C1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)[C@H]1CCCN([C@H](C)c2cc(Cl)cc(Cl)c2)C1.CC1C2CC3CC1CC(Cl)(C3)C2.CC1C2CC3CC1CC(Cl)(C3)C2.CC1C2CC3CC1CC(F)(C3)C2.CC1CCC(C)(C(C)C)CC1.CCOc1ncc(C(C)(C)C)cc1Cl.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(C(C)(C)C)CC1.C[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(C(C)(C)C)CC1.C[C@H]1CCCN([C@@H](C)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H22Cl2F3N.2C17H25Cl2N.C16H23Cl2N.C14H19Cl2N.C12H21F.C11H16ClNO.2C11H17Cl.C11H17F.C11H22.4C2H6/c1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;2*1-12(13-9-15(18)11-16(19)10-13)20-7-5-14(6-8-20)17(2,3)4;1-11(2)13-5-4-6-19(10-13)12(3)14-7-15(17)9-16(18)8-14;1-10-4-3-5-17(9-10)11(2)12-6-13(15)8-14(16)7-12;1-10(2,3)11-4-7-12(13,8-5-11)9-6-11;1-5-14-10-9(12)6-8(7-13-10)11(2,3)4;3*1-7-9-2-8-3-10(7)6-11(12,4-8)5-9;1-9(2)11(4)7-5-10(3)6-8-11;4*1-2/h8-10,12,15H,4-7H2,1-3H3;2*9-12,14H,5-8H2,1-4H3;7-9,11-13H,4-6,10H2,1-3H3;6-8,10-11H,3-5,9H2,1-2H3;4-9H2,1-3H3;6-7H,5H2,1-4H3;3*7-10H,2-6H2,1H3;9-10H,5-8H2,1-4H3;4*1-2H3/t;2*12-;12-,13+;10-,11-;;;;;;;;;;/m.1010........../s1
InChIKeyVQHMKMYGRCRCFP-NQXMAUATSA-N
MW2779.62 g/mol
LogP53.73
Rot. Bonds14

About 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane

5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane (PubChem CID 161369711) has the molecular formula C156H248Cl13F5N6O and a molecular weight of 2779.62 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane
PubChem CID161369711
Molecular FormulaC156H248Cl13F5N6O
Molecular Weight2779.62 g/mol
Exact Mass2771.54
IUPAC Name5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane
SMILESCC.CC.CC.CC.CC(C)(C)C12CCC(F)(CC1)CC2.CC(C)(C)C1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)[C@H]1CCCN([C@H](C)c2cc(Cl)cc(Cl)c2)C1.CC1C2CC3CC1CC(Cl)(C3)C2.CC1C2CC3CC1CC(Cl)(C3)C2.CC1C2CC3CC1CC(F)(C3)C2.CC1CCC(C)(C(C)C)CC1.CCOc1ncc(C(C)(C)C)cc1Cl.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(C(C)(C)C)CC1.C[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(C(C)(C)C)CC1.C[C@H]1CCCN([C@@H](C)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H22Cl2F3N.2C17H25Cl2N.C16H23Cl2N.C14H19Cl2N.C12H21F.C11H16ClNO.2C11H17Cl.C11H17F.C11H22.4C2H6/c1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;2*1-12(13-9-15(18)11-16(19)10-13)20-7-5-14(6-8-20)17(2,3)4;1-11(2)13-5-4-6-19(10-13)12(3)14-7-15(17)9-16(18)8-14;1-10-4-3-5-17(9-10)11(2)12-6-13(15)8-14(16)7-12;1-10(2,3)11-4-7-12(13,8-5-11)9-6-11;1-5-14-10-9(12)6-8(7-13-10)11(2,3)4;3*1-7-9-2-8-3-10(7)6-11(12,4-8)5-9;1-9(2)11(4)7-5-10(3)6-8-11;4*1-2/h8-10,12,15H,4-7H2,1-3H3;2*9-12,14H,5-8H2,1-4H3;7-9,11-13H,4-6,10H2,1-3H3;6-8,10-11H,3-5,9H2,1-2H3;4-9H2,1-3H3;6-7H,5H2,1-4H3;3*7-10H,2-6H2,1H3;9-10H,5-8H2,1-4H3;4*1-2H3/t;2*12-;12-,13+;10-,11-;;;;;;;;;;/m.1010........../s1
InChIKeyVQHMKMYGRCRCFP-NQXMAUATSA-N
XLogP53.73
TPSA38.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002779.62
LogP ≤ 553.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane?
The IUPAC name of 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane (CID 161369711) is 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane.
What is the SMILES notation for 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane?
The canonical SMILES for 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane is CC.CC.CC.CC.CC(C)(C)C12CCC(F)(CC1)CC2.CC(C)(C)C1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.CC(C)[C@H]1CCCN([C@H](C)c2cc(Cl)cc(Cl)c2)C1.CC1C2CC3CC1CC(Cl)(C3)C2.CC1C2CC3CC1CC(Cl)(C3)C2.CC1C2CC3CC1CC(F)(C3)C2.CC1CCC(C)(C(C)C)CC1.CCOc1ncc(C(C)(C)C)cc1Cl.C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(C(C)(C)C)CC1.C[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(C(C)(C)C)CC1.C[C@H]1CCCN([C@@H](C)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane?
The InChIKey is VQHMKMYGRCRCFP-NQXMAUATSA-N. The full InChI is InChI=1S/C17H22Cl2F3N.2C17H25Cl2N.C16H23Cl2N.C14H19Cl2N.C12H21F.C11H16ClNO.2C11H17Cl.C11H17F.C11H22.4C2H6/c1-16(2,3)12-4-6-23(7-5-12)15(17(20,21)22)11-8-13(18)10-14(19)9-11;2*1-12(13-9-15(18)11-16(19)10-13)20-7-5-14(6-8-20)17(2,3)4;1-11(2)13-5-4-6-19(10-13)12(3)14-7-15(17)9-16(18)8-14;1-10-4-3-5-17(9-10)11(2)12-6-13(15)8-14(16)7-12;1-10(2,3)11-4-7-12(13,8-5-11)9-6-11;1-5-14-10-9(12)6-8(7-13-10)11(2,3)4;3*1-7-9-2-8-3-10(7)6-11(12,4-8)5-9;1-9(2)11(4)7-5-10(3)6-8-11;4*1-2/h8-10,12,15H,4-7H2,1-3H3;2*9-12,14H,5-8H2,1-4H3;7-9,11-13H,4-6,10H2,1-3H3;6-8,10-11H,3-5,9H2,1-2H3;4-9H2,1-3H3;6-7H,5H2,1-4H3;3*7-10H,2-6H2,1H3;9-10H,5-8H2,1-4H3;4*1-2H3/t;2*12-;12-,13+;10-,11-;;;;;;;;;;/m.1010........../s1.
What are the key properties of 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane?
5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane has a molecular weight of 2779.62 g/mol, XLogP of 53.73, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-2-ethoxypyridine;4-tert-butyl-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidine;4-tert-butyl-1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidine;1-tert-butyl-4-fluorobicyclo[2.2.2]octane;bis(1-chloro-4-methyladamantane);(3S)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]-3-methylpiperidine;(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]-3-propan-2-ylpiperidine;1,4-dimethyl-1-propan-2-ylcyclohexane;ethane;1-fluoro-4-methyladamantane is sourced from PubChem (CID 161369711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).