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

C106H166N10O7 — CID 161307678

IUPAC6-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
SMILESCC(C)(C)c1ccc2c(c1)CCC(=O)C2.COc1cc(C2CCN(C)CC2)c(C)cc1C(C)(C)C.COc1cc(N2CCC(N3CCCC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.COc1cc2c(cc1C(C)(C)C)N(C(=O)CN(C)C)CC2
InChIInChI=1S/C21H35N3O.C20H32N2O.C18H29NO.C17H26N2O2.C16H26N2O.C14H18O/c1-21(2,3)19-7-6-18(16-20(19)25-5)23-10-8-17(9-11-23)24-14-12-22(4)13-15-24;1-20(2,3)18-8-7-17(15-19(18)23-4)22-13-9-16(10-14-22)21-11-5-6-12-21;1-13-11-16(18(2,3)4)17(20-6)12-15(13)14-7-9-19(5)10-8-14;1-17(2,3)13-10-14-12(9-15(13)21-6)7-8-19(14)16(20)11-18(4)5;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h6-7,16-17H,8-15H2,1-5H3;7-8,15-16H,5-6,9-14H2,1-4H3;11-12,14H,7-10H2,1-6H3;9-10H,7-8,11H2,1-6H3;6-7,12H,8-11H2,1-5H3;4,6,8H,5,7,9H2,1-3H3
InChIKeyVILYGMAUXKCJEV-UHFFFAOYSA-N
MW1692.56 g/mol
LogP19.61
Rot. Bonds13

About 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

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 (PubChem CID 161307678) has the molecular formula C106H166N10O7 and a molecular weight of 1692.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID161307678
Molecular FormulaC106H166N10O7
Molecular Weight1692.56 g/mol
Exact Mass1691.29
IUPAC Name6-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
SMILESCC(C)(C)c1ccc2c(c1)CCC(=O)C2.COc1cc(C2CCN(C)CC2)c(C)cc1C(C)(C)C.COc1cc(N2CCC(N3CCCC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.COc1cc2c(cc1C(C)(C)C)N(C(=O)CN(C)C)CC2
InChIInChI=1S/C21H35N3O.C20H32N2O.C18H29NO.C17H26N2O2.C16H26N2O.C14H18O/c1-21(2,3)19-7-6-18(16-20(19)25-5)23-10-8-17(9-11-23)24-14-12-22(4)13-15-24;1-20(2,3)18-8-7-17(15-19(18)23-4)22-13-9-16(10-14-22)21-11-5-6-12-21;1-13-11-16(18(2,3)4)17(20-6)12-15(13)14-7-9-19(5)10-8-14;1-17(2,3)13-10-14-12(9-15(13)21-6)7-8-19(14)16(20)11-18(4)5;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h6-7,16-17H,8-15H2,1-5H3;7-8,15-16H,5-6,9-14H2,1-4H3;11-12,14H,7-10H2,1-6H3;9-10H,7-8,11H2,1-6H3;6-7,12H,8-11H2,1-5H3;4,6,8H,5,7,9H2,1-3H3
InChIKeyVILYGMAUXKCJEV-UHFFFAOYSA-N
XLogP19.61
TPSA112.69 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001692.56
LogP ≤ 519.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

6-ethoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
CID 158101988
6-ethoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]quinolin-2-one;6-methoxy-1,3,3-trimethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
CID 159069508
5,19-Bis(diethylamino)-2'-(2-oxopropyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,3'-isoindole]-1'-one;2-[3,8-bis(diethylamino)-3'-oxospiro[benzo[b]xanthene-12,1'-isoindole]-2'-yl]acetamide;methane
CID 159282559
(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
6-ethoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;6-methoxy-1-methyl-7-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;7-methoxy-1-methyl-6-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]-3,4-dihydroquinolin-2-one;molecular hydrogen;1,3,3,6-tetramethyl-5-[[[(2S)-2-phenylpiperidin-3-yl]amino]methyl]indol-2-one
CID 160288000
1-(6-tert-butyl-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;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;1-(4-tert-butylphenyl)-4-methylpiperazine
CID 161135509
1-(6-tert-butyl-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;1-[1-(4-tert-butyl-3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 161696270
3-[1'-[1-[4-[2-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]-1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl]piperidine-2,6-dione
CID 178266541

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)CCC(=O)C2.COc1cc(C2CCN(C)CC2)c(C)cc1C(C)(C)C.COc1cc(N2CCC(N3CCCC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.COc1cc2c(cc1C(C)(C)C)N(C(=O)CN(C)C)CC2.
What is the InChIKey of 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?
The InChIKey is VILYGMAUXKCJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.C20H32N2O.C18H29NO.C17H26N2O2.C16H26N2O.C14H18O/c1-21(2,3)19-7-6-18(16-20(19)25-5)23-10-8-17(9-11-23)24-14-12-22(4)13-15-24;1-20(2,3)18-8-7-17(15-19(18)23-4)22-13-9-16(10-14-22)21-11-5-6-12-21;1-13-11-16(18(2,3)4)17(20-6)12-15(13)14-7-9-19(5)10-8-14;1-17(2,3)13-10-14-12(9-15(13)21-6)7-8-19(14)16(20)11-18(4)5;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h6-7,16-17H,8-15H2,1-5H3;7-8,15-16H,5-6,9-14H2,1-4H3;11-12,14H,7-10H2,1-6H3;9-10H,7-8,11H2,1-6H3;6-7,12H,8-11H2,1-5H3;4,6,8H,5,7,9H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1692.56 g/mol, XLogP of 19.61, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161307678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).