(8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol

C184H285N17O6 — CID 159858507

IUPAC(8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1ccc(N2CC(=O)N3CCC[C@@H]3C2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCN3C(=O)CC[C@@H]3C2)cc1.CC(C)(C)c1ccc(N2CCN3CCC[C@@H]3C2)cc1.CC(C)(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)(C)c1cccc(N2CCN3CCC[C@@H]3C2)c1.CCN1CCC(c2ccc(C(C)(C)C)cc2)CC1.CCN1CCC(c2ccc(C(C)(C)C)cc2C)CC1.CCN1CCc2cc(C(C)(C)C)ccc2C1.CN1CCC(c2ccc(C(C)(C)C)cc2)CC1.COc1cc(N2CCC(N(C)C)CC2)ccc1C(C)(C)C
InChIInChI=1S/C18H30N2O.C18H29N.2C17H24N2O.2C17H26N2.C17H27N.C16H26N2O.C16H25NO2.C16H25N.C15H23N/c1-18(2,3)16-8-7-15(13-17(16)21-6)20-11-9-14(10-12-20)19(4)5;1-6-19-11-9-15(10-12-19)17-8-7-16(13-14(17)2)18(3,4)5;1-17(2,3)13-4-6-14(7-5-13)18-10-11-19-15(12-18)8-9-16(19)20;1-17(2,3)13-6-8-14(9-7-13)18-11-15-5-4-10-19(15)16(20)12-18;1-17(2,3)14-6-4-7-15(12-14)19-11-10-18-9-5-8-16(18)13-19;1-17(2,3)14-6-8-15(9-7-14)19-12-11-18-10-4-5-16(18)13-19;1-5-18-12-10-15(11-13-18)14-6-8-16(9-7-14)17(2,3)4;1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17;1-16(2,3)15-7-5-13(6-8-15)14-9-11-17(4)12-10-14;1-5-16-9-8-12-10-14(15(2,3)4)7-6-13(12)11-16/h7-8,13-14H,9-12H2,1-6H3;7-8,13,15H,6,9-12H2,1-5H3;4-7,15H,8-12H2,1-3H3;6-9,15H,4-5,10-12H2,1-3H3;4,6-7,12,16H,5,8-11,13H2,1-3H3;6-9,16H,4-5,10-13H2,1-3H3;6-9,15H,5,10-13H2,1-4H3;4-7,19H,8-13H2,1-3H3;4-7H,8-13H2,1-3H3;5-8,14H,9-12H2,1-4H3;6-7,10H,5,8-9,11H2,1-4H3/t;;2*15-;2*16-;;;;;/m..1111...../s1
InChIKeyNQVLVFKIOMPPIF-SGLALUKFSA-N
MW2831.42 g/mol
LogP36.27
Rot. Bonds20

About (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol

(8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol (PubChem CID 159858507) has the molecular formula C184H285N17O6 and a molecular weight of 2831.42 g/mol. Its IUPAC name is (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol
PubChem CID159858507
Molecular FormulaC184H285N17O6
Molecular Weight2831.42 g/mol
Exact Mass2829.25
IUPAC Name(8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1ccc(N2CC(=O)N3CCC[C@@H]3C2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCN3C(=O)CC[C@@H]3C2)cc1.CC(C)(C)c1ccc(N2CCN3CCC[C@@H]3C2)cc1.CC(C)(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)(C)c1cccc(N2CCN3CCC[C@@H]3C2)c1.CCN1CCC(c2ccc(C(C)(C)C)cc2)CC1.CCN1CCC(c2ccc(C(C)(C)C)cc2C)CC1.CCN1CCc2cc(C(C)(C)C)ccc2C1.CN1CCC(c2ccc(C(C)(C)C)cc2)CC1.COc1cc(N2CCC(N(C)C)CC2)ccc1C(C)(C)C
InChIInChI=1S/C18H30N2O.C18H29N.2C17H24N2O.2C17H26N2.C17H27N.C16H26N2O.C16H25NO2.C16H25N.C15H23N/c1-18(2,3)16-8-7-15(13-17(16)21-6)20-11-9-14(10-12-20)19(4)5;1-6-19-11-9-15(10-12-19)17-8-7-16(13-14(17)2)18(3,4)5;1-17(2,3)13-4-6-14(7-5-13)18-10-11-19-15(12-18)8-9-16(19)20;1-17(2,3)13-6-8-14(9-7-13)18-11-15-5-4-10-19(15)16(20)12-18;1-17(2,3)14-6-4-7-15(12-14)19-11-10-18-9-5-8-16(18)13-19;1-17(2,3)14-6-8-15(9-7-14)19-12-11-18-10-4-5-16(18)13-19;1-5-18-12-10-15(11-13-18)14-6-8-16(9-7-14)17(2,3)4;1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17;1-16(2,3)15-7-5-13(6-8-15)14-9-11-17(4)12-10-14;1-5-16-9-8-12-10-14(15(2,3)4)7-6-13(12)11-16/h7-8,13-14H,9-12H2,1-6H3;7-8,13,15H,6,9-12H2,1-5H3;4-7,15H,8-12H2,1-3H3;6-9,15H,4-5,10-12H2,1-3H3;4,6-7,12,16H,5,8-11,13H2,1-3H3;6-9,16H,4-5,10-13H2,1-3H3;6-9,15H,5,10-13H2,1-4H3;4-7,19H,8-13H2,1-3H3;4-7H,8-13H2,1-3H3;5-8,14H,9-12H2,1-4H3;6-7,10H,5,8-9,11H2,1-4H3/t;;2*15-;2*16-;;;;;/m..1111...../s1
InChIKeyNQVLVFKIOMPPIF-SGLALUKFSA-N
XLogP36.27
TPSA137.14 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002831.42
LogP ≤ 536.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;1-(6-tert-butyl-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;4-(4-tert-butyl-5-methoxy-2-methylphenyl)-1-methylpiperidine;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine;1-(4-tert-butyl-3-methoxyphenyl)-4-pyrrolidin-1-ylpiperidine
CID 161307678

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol (CID 159858507) is (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol is CC(C)(C)c1ccc(N2CC(=O)N3CCC[C@@H]3C2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCN3C(=O)CC[C@@H]3C2)cc1.CC(C)(C)c1ccc(N2CCN3CCC[C@@H]3C2)cc1.CC(C)(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)(C)c1cccc(N2CCN3CCC[C@@H]3C2)c1.CCN1CCC(c2ccc(C(C)(C)C)cc2)CC1.CCN1CCC(c2ccc(C(C)(C)C)cc2C)CC1.CCN1CCc2cc(C(C)(C)C)ccc2C1.CN1CCC(c2ccc(C(C)(C)C)cc2)CC1.COc1cc(N2CCC(N(C)C)CC2)ccc1C(C)(C)C.
What is the InChIKey of (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol?
The InChIKey is NQVLVFKIOMPPIF-SGLALUKFSA-N. The full InChI is InChI=1S/C18H30N2O.C18H29N.2C17H24N2O.2C17H26N2.C17H27N.C16H26N2O.C16H25NO2.C16H25N.C15H23N/c1-18(2,3)16-8-7-15(13-17(16)21-6)20-11-9-14(10-12-20)19(4)5;1-6-19-11-9-15(10-12-19)17-8-7-16(13-14(17)2)18(3,4)5;1-17(2,3)13-4-6-14(7-5-13)18-10-11-19-15(12-18)8-9-16(19)20;1-17(2,3)13-6-8-14(9-7-13)18-11-15-5-4-10-19(15)16(20)12-18;1-17(2,3)14-6-4-7-15(12-14)19-11-10-18-9-5-8-16(18)13-19;1-17(2,3)14-6-8-15(9-7-14)19-12-11-18-10-4-5-16(18)13-19;1-5-18-12-10-15(11-13-18)14-6-8-16(9-7-14)17(2,3)4;1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17;1-16(2,3)15-7-5-13(6-8-15)14-9-11-17(4)12-10-14;1-5-16-9-8-12-10-14(15(2,3)4)7-6-13(12)11-16/h7-8,13-14H,9-12H2,1-6H3;7-8,13,15H,6,9-12H2,1-5H3;4-7,15H,8-12H2,1-3H3;6-9,15H,4-5,10-12H2,1-3H3;4,6-7,12,16H,5,8-11,13H2,1-3H3;6-9,16H,4-5,10-13H2,1-3H3;6-9,15H,5,10-13H2,1-4H3;4-7,19H,8-13H2,1-3H3;4-7H,8-13H2,1-3H3;5-8,14H,9-12H2,1-4H3;6-7,10H,5,8-9,11H2,1-4H3/t;;2*15-;2*16-;;;;;/m..1111...../s1.
What are the key properties of (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol?
(8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol has a molecular weight of 2831.42 g/mol, XLogP of 36.27, 20 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(3-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(8aR)-2-(4-tert-butylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(8aR)-2-(4-tert-butylphenyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one;6-tert-butyl-2-ethyl-3,4-dihydro-1H-isoquinoline;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;4-(4-tert-butyl-2-methylphenyl)-1-ethylpiperidine;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;4-(4-tert-butylphenyl)-1-ethylpiperidine;4-(4-tert-butylphenyl)-1-methylpiperidine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 159858507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).