5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine

C228H337F13N22O9 — CID 165065883

IUPAC5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCN(C)[C@@H](C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@@H](C)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(N2CCO[C@@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@@H](O)C2)cc1.CC(C)c1ccc(N2CC[C@H](O)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1.CC(C)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(OC2CC2)cn1
InChIInChI=1S/3C15H21F3N2.2C15H24N2.3C15H23NO.C15H23N.2C14H19F2NO.C14H22N2.C14H21NO.2C13H19NO.C11H15NO/c2*1-11(2)12-4-6-13(7-5-12)20-9-8-19(3)14(10-20)15(16,17)18;1-12(2)13-3-5-14(6-4-13)20-9-7-19(8-10-20)11-15(16,17)18;2*1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;3*1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;2*1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;2*1-10(2)11-3-5-12(6-4-11)14-8-7-13(15)9-14;1-8(2)11-6-5-10(7-12-11)13-9-3-4-9/h2*4-7,11,14H,8-10H2,1-3H3;3-6,12H,7-11H2,1-2H3;2*5-8,12-13H,9-11H2,1-4H3;3*5-8,11-13H,9-10H2,1-4H3;4-7,12,15H,8-11H2,1-3H3;2*3-6,10,13-14H,7-9H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;2*3-6,10,13,15H,7-9H2,1-2H3;5-9H,3-4H2,1-2H3/t2*14-;;2*13-;12-,13+;2*12-,13-;;2*13-;;;2*13-;/m10.10.10.10..10./s1
InChIKeyRYLHECOUJDZNMF-FKEXKVFLSA-N
MW3777.32 g/mol
LogP49.67
Rot. Bonds36

About 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine

5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 165065883) has the molecular formula C228H337F13N22O9 and a molecular weight of 3777.32 g/mol. Its IUPAC name is 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID165065883
Molecular FormulaC228H337F13N22O9
Molecular Weight3777.32 g/mol
Exact Mass3774.64
IUPAC Name5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCN(C)[C@@H](C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@@H](C)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(N2CCO[C@@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@@H](O)C2)cc1.CC(C)c1ccc(N2CC[C@H](O)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1.CC(C)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(OC2CC2)cn1
InChIInChI=1S/3C15H21F3N2.2C15H24N2.3C15H23NO.C15H23N.2C14H19F2NO.C14H22N2.C14H21NO.2C13H19NO.C11H15NO/c2*1-11(2)12-4-6-13(7-5-12)20-9-8-19(3)14(10-20)15(16,17)18;1-12(2)13-3-5-14(6-4-13)20-9-7-19(8-10-20)11-15(16,17)18;2*1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;3*1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;2*1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;2*1-10(2)11-3-5-12(6-4-11)14-8-7-13(15)9-14;1-8(2)11-6-5-10(7-12-11)13-9-3-4-9/h2*4-7,11,14H,8-10H2,1-3H3;3-6,12H,7-11H2,1-2H3;2*5-8,12-13H,9-11H2,1-4H3;3*5-8,11-13H,9-10H2,1-4H3;4-7,12,15H,8-11H2,1-3H3;2*3-6,10,13-14H,7-9H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;2*3-6,10,13,15H,7-9H2,1-2H3;5-9H,3-4H2,1-2H3/t2*14-;;2*13-;12-,13+;2*12-,13-;;2*13-;;;2*13-;/m10.10.10.10..10./s1
InChIKeyRYLHECOUJDZNMF-FKEXKVFLSA-N
XLogP49.67
TPSA197.00 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003777.32
LogP ≤ 549.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 165065883) is 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine is CC(C)c1ccc(C2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(N2CCN(C)[C@@H](C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@@H](C)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C(F)(F)F)C2)cc1.CC(C)c1ccc(N2CCN(C)[C@H](C)C2)cc1.CC(C)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1.CC(C)c1ccc(N2CCO[C@@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CCO[C@H](C(F)F)C2)cc1.CC(C)c1ccc(N2CC[C@@H](O)C2)cc1.CC(C)c1ccc(N2CC[C@H](O)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1.CC(C)c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1.CC(C)c1ccc(OC2CC2)cn1.
What is the InChIKey of 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is RYLHECOUJDZNMF-FKEXKVFLSA-N. The full InChI is InChI=1S/3C15H21F3N2.2C15H24N2.3C15H23NO.C15H23N.2C14H19F2NO.C14H22N2.C14H21NO.2C13H19NO.C11H15NO/c2*1-11(2)12-4-6-13(7-5-12)20-9-8-19(3)14(10-20)15(16,17)18;1-12(2)13-3-5-14(6-4-13)20-9-7-19(8-10-20)11-15(16,17)18;2*1-12(2)14-5-7-15(8-6-14)17-10-9-16(4)13(3)11-17;3*1-11(2)14-5-7-15(8-6-14)16-9-12(3)17-13(4)10-16;1-12(2)13-4-6-14(7-5-13)15-8-10-16(3)11-9-15;2*1-10(2)11-3-5-12(6-4-11)17-7-8-18-13(9-17)14(15)16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;2*1-10(2)11-3-5-12(6-4-11)14-8-7-13(15)9-14;1-8(2)11-6-5-10(7-12-11)13-9-3-4-9/h2*4-7,11,14H,8-10H2,1-3H3;3-6,12H,7-11H2,1-2H3;2*5-8,12-13H,9-11H2,1-4H3;3*5-8,11-13H,9-10H2,1-4H3;4-7,12,15H,8-11H2,1-3H3;2*3-6,10,13-14H,7-9H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;2*3-6,10,13,15H,7-9H2,1-2H3;5-9H,3-4H2,1-2H3/t2*14-;;2*13-;12-,13+;2*12-,13-;;2*13-;;;2*13-;/m10.10.10.10..10./s1.
What are the key properties of 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine?
5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 3777.32 g/mol, XLogP of 49.67, 36 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-2-propan-2-ylpyridine;(2R)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2S)-2-(difluoromethyl)-4-(4-propan-2-ylphenyl)morpholine;(2R,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2S,6S)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R,6R)-2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine;(2R)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;(2S)-1,2-dimethyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperidine;(2S)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;(2R)-1-methyl-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)piperazine;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;(3S)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(4-propan-2-ylphenyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 165065883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).