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

C89H135N9O5S — CID 161080518

About 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

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 (PubChem CID 161080518) has the molecular formula C89H135N9O5S and a molecular weight of 1443.18 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161080518
• Molecular Formula: C89H135N9O5S
• Molecular Weight: 1443.18 g/mol
• Exact Mass: 1442.03
• IUPAC Name: 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
• SMILES: CC(C)(C)c1ccc(Cn2ccnc2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)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
• InChI: InChI=1S/C16H26N2O.C15H23NO2S.2C15H23NO.C14H22N2.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;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;4-7,15H,8-11H2,1-3H3;4-9,11H,10H2,1-3H3
• InChIKey: UFVTZMKWGXTAON-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 130.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.18
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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;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;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine (CID 161080518) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 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(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;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine?

The InChIKey is UFVTZMKWGXTAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C15H23NO2S.2C15H23NO.C14H22N2.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;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;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;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;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine has a molecular weight of 1443.18 g/mol, XLogP of 16.81, 12 rotatable bonds, 3 hydrogen bond donors, and 13 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;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(3-tert-butylphenyl)sulfonylpiperidine is sourced from PubChem (CID 161080518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).