3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone

C148H234N12O8S — CID 159880860

IUPAC3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(CN2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1ccc(C(C)(C)C)cc1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2cccc(C(C)(C)C)c2)C(CO)C1.COCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H30N2O.2C17H28N2O.C17H25NO.C17H27N.C16H25NO2S.C16H25NO.C16H25N.C14H21NO/c1-18(2,3)17-7-5-6-16(14-17)15-20-10-8-19(9-11-20)12-13-21-4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)12-16(19)13-20;1-17(2,3)16-6-4-5-15(13-16)14-19-9-7-18(8-10-19)11-12-20;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-16(2,3)14-11-9-13(10-12-14)7-6-8-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13/h5-7,14H,8-13,15H2,1-4H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;4-6,13,20H,7-12,14H2,1-3H3;5-7,11,15H,8-10,12H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;9-12H,6-8H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3
InChIKeyNTMSVTYUIZBTGS-UHFFFAOYSA-N
MW2341.64 g/mol
LogP26.60
Rot. Bonds27

About 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone

3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 159880860) has the molecular formula C148H234N12O8S and a molecular weight of 2341.64 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID159880860
Molecular FormulaC148H234N12O8S
Molecular Weight2341.64 g/mol
Exact Mass2339.80
IUPAC Name3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(CN2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1ccc(C(C)(C)C)cc1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2cccc(C(C)(C)C)c2)C(CO)C1.COCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H30N2O.2C17H28N2O.C17H25NO.C17H27N.C16H25NO2S.C16H25NO.C16H25N.C14H21NO/c1-18(2,3)17-7-5-6-16(14-17)15-20-10-8-19(9-11-20)12-13-21-4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)12-16(19)13-20;1-17(2,3)16-6-4-5-15(13-16)14-19-9-7-18(8-10-19)11-12-20;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-16(2,3)14-11-9-13(10-12-14)7-6-8-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13/h5-7,14H,8-13,15H2,1-4H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;4-6,13,20H,7-12,14H2,1-3H3;5-7,11,15H,8-10,12H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;9-12H,6-8H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3
InChIKeyNTMSVTYUIZBTGS-UHFFFAOYSA-N
XLogP26.60
TPSA174.87 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002341.64
LogP ≤ 526.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 158067148
4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)-1,2,4-triazole
CID 159526756
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 160595346
1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157265022
3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine
CID 161439052
2-tert-butyl-1-methylimidazole;5-tert-butyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;3-(4-tert-butylphenoxy)-1-methylpyrrolidine;3-(4-tert-butylphenoxy)pyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylacetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N-methylbutanamide;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]propan-2-one;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 157493374
3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;4-(3-tert-butyl-4-methylphenyl)oxane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 159695238
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;3-tert-butyl-5-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;1-[4-(6-tert-butylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 158260400
4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;(3S)-4-[(3-tert-butylphenyl)methyl]-3-methyloxane;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 158333276
1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine
CID 154938667
4-tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 158867438
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone (CID 159880860) is 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(CN2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1ccc(C(C)(C)C)cc1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2cccc(C(C)(C)C)c2)C(CO)C1.COCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is NTMSVTYUIZBTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.2C17H28N2O.C17H25NO.C17H27N.C16H25NO2S.C16H25NO.C16H25N.C14H21NO/c1-18(2,3)17-7-5-6-16(14-17)15-20-10-8-19(9-11-20)12-13-21-4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)12-16(19)13-20;1-17(2,3)16-6-4-5-15(13-16)14-19-9-7-18(8-10-19)11-12-20;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-16(2,3)14-11-9-13(10-12-14)7-6-8-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13/h5-7,14H,8-13,15H2,1-4H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;4-6,13,20H,7-12,14H2,1-3H3;5-7,11,15H,8-10,12H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;9-12H,6-8H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3.
What are the key properties of 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone?
3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 2341.64 g/mol, XLogP of 26.60, 27 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 159880860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).