2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C147H226N14O10S2 — CID 159940170

IUPAC2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(Cn2cccn2)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1.CC(C)(C)c1cccc(N2CCNCC2)c1.CC(C)(C)c1cccc(OCCN2CCCC2)c1.CC(C)(C)c1cccc(ON2CCNCC2)c1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O2S.2C16H25NO.C15H24N2.C15H23NO2S.C15H23NO.C14H22N2O.C14H18N2.C14H22N2.C12H18O2/c1-16(2,3)14-6-8-15(9-7-14)21(19,20)17-10-13-18-11-4-5-12-18;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-16(2,3)14-7-6-8-15(13-14)18-12-11-17-9-4-5-10-17;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-5-4-6-13(11-12)17-16-9-7-15-8-10-16;1-14(2,3)13-7-5-12(6-8-13)11-16-10-4-9-15-16;1-14(2,3)12-5-4-6-13(11-12)16-9-7-15-8-10-16;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h6-9,17H,4-5,10-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;6-8,13H,4-5,9-12H2,1-3H3;5-8H,9-12H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;4-7H,8-12H2,1-3H3;4-6,11,15H,7-10H2,1-3H3;4-10H,11H2,1-3H3;4-6,11,15H,7-10H2,1-3H3;4-7,13H,8-9H2,1-3H3
InChIKeyOATUDOMTIMEWGB-UHFFFAOYSA-N
MW2413.65 g/mol
LogP27.50
Rot. Bonds26

About 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 159940170) has the molecular formula C147H226N14O10S2 and a molecular weight of 2413.65 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID159940170
Molecular FormulaC147H226N14O10S2
Molecular Weight2413.65 g/mol
Exact Mass2411.70
IUPAC Name2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(Cn2cccn2)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1.CC(C)(C)c1cccc(N2CCNCC2)c1.CC(C)(C)c1cccc(OCCN2CCCC2)c1.CC(C)(C)c1cccc(ON2CCNCC2)c1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O2S.2C16H25NO.C15H24N2.C15H23NO2S.C15H23NO.C14H22N2O.C14H18N2.C14H22N2.C12H18O2/c1-16(2,3)14-6-8-15(9-7-14)21(19,20)17-10-13-18-11-4-5-12-18;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-16(2,3)14-7-6-8-15(13-14)18-12-11-17-9-4-5-10-17;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-5-4-6-13(11-12)17-16-9-7-15-8-10-16;1-14(2,3)13-7-5-12(6-8-13)11-16-10-4-9-15-16;1-14(2,3)12-5-4-6-13(11-12)16-9-7-15-8-10-16;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h6-9,17H,4-5,10-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;6-8,13H,4-5,9-12H2,1-3H3;5-8H,9-12H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;4-7H,8-12H2,1-3H3;4-6,11,15H,7-10H2,1-3H3;4-10H,11H2,1-3H3;4-6,11,15H,7-10H2,1-3H3;4-7,13H,8-9H2,1-3H3
InChIKeyOATUDOMTIMEWGB-UHFFFAOYSA-N
XLogP27.50
TPSA226.52 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.65
LogP ≤ 527.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide with MolForge

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Related Compounds

2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)imidazole;4-[(4-tert-butylphenyl)methyl]morpholine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 158881701
2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;4-[(4-tert-butylphenyl)methyl]morpholine;1-[(3-tert-butylphenyl)methyl]piperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 159484242
1-tert-butyl-4-cyclohexylsulfonylbenzene;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperidine;1-tert-butyl-4-propoxybenzene;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 161537830

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 159940170) is 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(Cn2cccn2)cc1.CC(C)(C)c1ccc(OCCN2CCCC2)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCCC2)cc1.CC(C)(C)c1cccc(N2CCNCC2)c1.CC(C)(C)c1cccc(OCCN2CCCC2)c1.CC(C)(C)c1cccc(ON2CCNCC2)c1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is OATUDOMTIMEWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.2C16H25NO.C15H24N2.C15H23NO2S.C15H23NO.C14H22N2O.C14H18N2.C14H22N2.C12H18O2/c1-16(2,3)14-6-8-15(9-7-14)21(19,20)17-10-13-18-11-4-5-12-18;1-16(2,3)14-6-8-15(9-7-14)18-13-12-17-10-4-5-11-17;1-16(2,3)14-7-6-8-15(13-14)18-12-11-17-9-4-5-10-17;1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-15(2,3)12-4-6-13(7-5-12)19(17,18)14-8-10-16-11-9-14;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-14(2,3)12-5-4-6-13(11-12)17-16-9-7-15-8-10-16;1-14(2,3)13-7-5-12(6-8-13)11-16-10-4-9-15-16;1-14(2,3)12-5-4-6-13(11-12)16-9-7-15-8-10-16;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h6-9,17H,4-5,10-13H2,1-3H3;6-9H,4-5,10-13H2,1-3H3;6-8,13H,4-5,9-12H2,1-3H3;5-8H,9-12H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;4-7H,8-12H2,1-3H3;4-6,11,15H,7-10H2,1-3H3;4-10H,11H2,1-3H3;4-6,11,15H,7-10H2,1-3H3;4-7,13H,8-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 2413.65 g/mol, XLogP of 27.50, 26 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)ethanol;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine;1-(3-tert-butylphenoxy)piperazine;4-[(4-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)-4-methylpiperazine;1-[(4-tert-butylphenyl)methyl]pyrazole;1-(3-tert-butylphenyl)piperazine;4-(4-tert-butylphenyl)sulfonylpiperidine;4-tert-butyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 159940170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).