4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine

C103H157N11O5S — CID 161250665

IUPAC4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine
SMILESCC(C)(C)c1ccc(Cn2ccnc2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H26N2O.C15H23NO2S.2C15H23NO.2C14H22N2.C14H18N2/c1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-15(2,3)13-8-7-9-14(12-13)19(17,18)16-10-5-4-6-11-16;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;2*1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;1-14(2,3)13-6-4-12(5-7-13)10-16-9-8-15-11-16/h4-7,19H,8-13H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;2*4-7,15H,8-11H2,1-3H3;4-9,11H,10H2,1-3H3
InChIKeyVBFNTVSUZPJZFI-UHFFFAOYSA-N
MW1661.53 g/mol
LogP19.20
Rot. Bonds13

About 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine

4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine (PubChem CID 161250665) has the molecular formula C103H157N11O5S and a molecular weight of 1661.53 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine
PubChem CID161250665
Molecular FormulaC103H157N11O5S
Molecular Weight1661.53 g/mol
Exact Mass1660.21
IUPAC Name4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine
SMILESCC(C)(C)c1ccc(Cn2ccnc2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H26N2O.C15H23NO2S.2C15H23NO.2C14H22N2.C14H18N2/c1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-15(2,3)13-8-7-9-14(12-13)19(17,18)16-10-5-4-6-11-16;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;2*1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;1-14(2,3)13-6-4-12(5-7-13)10-16-9-8-15-11-16/h4-7,19H,8-13H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;2*4-7,15H,8-11H2,1-3H3;4-9,11H,10H2,1-3H3
InChIKeyVBFNTVSUZPJZFI-UHFFFAOYSA-N
XLogP19.20
TPSA146.18 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001661.53
LogP ≤ 519.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine with MolForge

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Related Compounds

N,N-dimethyl-2-(4-methylphenoxy)ethanamine;N,N-dimethyl-3-(4-methylphenoxy)propan-1-amine;N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;(2S,6R)-2,6-dimethyl-4-(4-methylphenyl)morpholine;N,1-dimethyl-N-(4-methylphenyl)piperidin-4-amine;1-methyl-4-(4-methylphenoxy)piperidine;1-methyl-4-(4-methylphenyl)-1,4-diazepane;1-methyl-4-[(4-methylphenyl)methyl]piperazine;1-methyl-N-(4-methylphenyl)piperidin-4-amine;1-(4-methylphenyl)imidazole;4-[(4-methylphenyl)methyl]morpholine;N,N,N'-trimethyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 159289767
4-(4-Tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)sulfonylpiperidine;1-(5-tert-butyl-2-pyridinyl)piperazine
CID 160842984
4-(4-Tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine
CID 161080518

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine (CID 161250665) is 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine is CC(C)(C)c1ccc(Cn2ccnc2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine?
The InChIKey is VBFNTVSUZPJZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C15H23NO2S.2C15H23NO.2C14H22N2.C14H18N2/c1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-15(2,3)13-8-7-9-14(12-13)19(17,18)16-10-5-4-6-11-16;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;2*1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;1-14(2,3)13-6-4-12(5-7-13)10-16-9-8-15-11-16/h4-7,19H,8-13H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;2*4-7,15H,8-11H2,1-3H3;4-9,11H,10H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine?
4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine has a molecular weight of 1661.53 g/mol, XLogP of 19.20, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;4-[(3-tert-butylphenyl)methyl]morpholine;bis(1-(4-tert-butylphenyl)piperazine);2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine is sourced from PubChem (CID 161250665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).