3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate

C133H178BrN9O14 — CID 159970375

IUPAC3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
SMILESBrCc1ccccc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[C@H]1CN2CCC(C(=O)OC(C)(C)C)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C24H30N2O2.C24H32N2O.C23H28N2O2.C23H30N2O.C22H33NO3.C10H18O5.C7H7Br/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20;1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21;1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19;1-18-15-25-12-11-24(16-19-7-4-3-5-8-19)17-21(25)14-23(18,2)20-9-6-10-22(26)13-20;1-15-14-23-10-9-16(20(25)26-21(2,3)4)11-18(23)13-22(15,5)17-7-6-8-19(24)12-17;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-6-7-4-2-1-3-5-7/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3;3-10,15,19,22,27H,11-14,16-18H2,1-2H3;3-10,13,17,20,26H,11-12,14-16H2,1-2H3;3-10,13,18,21,26H,11-12,14-17H2,1-2H3;6-8,12,15-16,18,24H,9-11,13-14H2,1-5H3;1-6H3;1-5H,6H2/t18-,21+,24+;19-,22+,24+;17-,20+,23+;18-,21+,23+;15-,16?,18-,22+;;/m00000../s1
InChIKeyOELUIZATSFULBU-YOODGACPSA-N
MW2206.84 g/mol
LogP24.32
Rot. Bonds15

About 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate

3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate (PubChem CID 159970375) has the molecular formula C133H178BrN9O14 and a molecular weight of 2206.84 g/mol. Its IUPAC name is 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate.

Molecular Properties

Compound Name3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
PubChem CID159970375
Molecular FormulaC133H178BrN9O14
Molecular Weight2206.84 g/mol
Exact Mass2204.27
IUPAC Name3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
SMILESBrCc1ccccc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[C@H]1CN2CCC(C(=O)OC(C)(C)C)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C24H30N2O2.C24H32N2O.C23H28N2O2.C23H30N2O.C22H33NO3.C10H18O5.C7H7Br/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20;1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21;1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19;1-18-15-25-12-11-24(16-19-7-4-3-5-8-19)17-21(25)14-23(18,2)20-9-6-10-22(26)13-20;1-15-14-23-10-9-16(20(25)26-21(2,3)4)11-18(23)13-22(15,5)17-7-6-8-19(24)12-17;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-6-7-4-2-1-3-5-7/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3;3-10,15,19,22,27H,11-14,16-18H2,1-2H3;3-10,13,17,20,26H,11-12,14-16H2,1-2H3;3-10,13,18,21,26H,11-12,14-17H2,1-2H3;6-8,12,15-16,18,24H,9-11,13-14H2,1-5H3;1-6H3;1-5H,6H2/t18-,21+,24+;19-,22+,24+;17-,20+,23+;18-,21+,23+;15-,16?,18-,22+;;/m00000../s1
InChIKeyOELUIZATSFULBU-YOODGACPSA-N
XLogP24.32
TPSA252.58 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002206.84
LogP ≤ 524.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate?
The IUPAC name of 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate (CID 159970375) is 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate.
What is the SMILES notation for 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate?
The canonical SMILES for 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate is BrCc1ccccc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[C@H]1CN2CCC(C(=O)OC(C)(C)C)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(C(=O)Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(C(=O)c3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate?
The InChIKey is OELUIZATSFULBU-YOODGACPSA-N. The full InChI is InChI=1S/C24H30N2O2.C24H32N2O.C23H28N2O2.C23H30N2O.C22H33NO3.C10H18O5.C7H7Br/c1-18-16-25-11-12-26(23(28)13-19-7-4-3-5-8-19)17-21(25)15-24(18,2)20-9-6-10-22(27)14-20;1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21;1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19;1-18-15-25-12-11-24(16-19-7-4-3-5-8-19)17-21(25)14-23(18,2)20-9-6-10-22(26)13-20;1-15-14-23-10-9-16(20(25)26-21(2,3)4)11-18(23)13-22(15,5)17-7-6-8-19(24)12-17;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-6-7-4-2-1-3-5-7/h3-10,14,18,21,27H,11-13,15-17H2,1-2H3;3-10,15,19,22,27H,11-14,16-18H2,1-2H3;3-10,13,17,20,26H,11-12,14-16H2,1-2H3;3-10,13,18,21,26H,11-12,14-17H2,1-2H3;6-8,12,15-16,18,24H,9-11,13-14H2,1-5H3;1-6H3;1-5H,6H2/t18-,21+,24+;19-,22+,24+;17-,20+,23+;18-,21+,23+;15-,16?,18-,22+;;/m00000../s1.
What are the key properties of 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate?
3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate has a molecular weight of 2206.84 g/mol, XLogP of 24.32, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7R,8R,9aR)-2-benzyl-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;3-[(7R,8R,9aR)-7,8-dimethyl-2-(2-phenylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol;1-[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-2-phenylethanone;[(7R,8R,9aR)-8-(3-hydroxyphenyl)-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl]-phenylmethanone;bromomethylbenzene;tert-butyl (7R,8R,9aS)-8-(3-hydroxyphenyl)-7,8-dimethyl-1,2,3,4,6,7,9,9a-octahydroquinolizine-2-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate is sourced from PubChem (CID 159970375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).