[1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate

C123H148N4O11 — CID 159934923

IUPAC[1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate
SMILESCC(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CC(C)(C)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.COC(=O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.O=C(O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H39NO2.C32H41NO.C30H35NO4.C29H33NO4/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28;1-31(2,3)27-19-17-26(18-20-27)12-10-11-23-33-24-21-30(22-25-33)32(34,28-13-6-4-7-14-28)29-15-8-5-9-16-29;1-35-29(33)24-16-14-23(15-17-24)28(32)13-8-20-31-21-18-27(19-22-31)30(34,25-9-4-2-5-10-25)26-11-6-3-7-12-26;31-27(22-13-15-23(16-14-22)28(32)33)12-7-19-30-20-17-26(18-21-30)29(34,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3;4-9,13-20,30,34H,10-12,21-25H2,1-3H3;2-7,9-12,14-17,27-28,32,34H,8,13,18-22H2,1H3;1-6,8-11,13-16,26-27,31,34H,7,12,17-21H2,(H,32,33)
InChIKeyOACSNYJAIZAWQB-UHFFFAOYSA-N
MW1858.55 g/mol
LogP23.33
Rot. Bonds34

About [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate

[1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate (PubChem CID 159934923) has the molecular formula C123H148N4O11 and a molecular weight of 1858.55 g/mol. Its IUPAC name is [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate.

Molecular Properties

Compound Name[1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate
PubChem CID159934923
Molecular FormulaC123H148N4O11
Molecular Weight1858.55 g/mol
Exact Mass1857.11
IUPAC Name[1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate
SMILESCC(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CC(C)(C)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.COC(=O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.O=C(O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H39NO2.C32H41NO.C30H35NO4.C29H33NO4/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28;1-31(2,3)27-19-17-26(18-20-27)12-10-11-23-33-24-21-30(22-25-33)32(34,28-13-6-4-7-14-28)29-15-8-5-9-16-29;1-35-29(33)24-16-14-23(15-17-24)28(32)13-8-20-31-21-18-27(19-22-31)30(34,25-9-4-2-5-10-25)26-11-6-3-7-12-26;31-27(22-13-15-23(16-14-22)28(32)33)12-7-19-30-20-17-26(18-21-30)29(34,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3;4-9,13-20,30,34H,10-12,21-25H2,1-3H3;2-7,9-12,14-17,27-28,32,34H,8,13,18-22H2,1H3;1-6,8-11,13-16,26-27,31,34H,7,12,17-21H2,(H,32,33)
InChIKeyOACSNYJAIZAWQB-UHFFFAOYSA-N
XLogP23.33
TPSA215.01 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001858.55
LogP ≤ 523.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate?
The IUPAC name of [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate (CID 159934923) is [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate.
What is the SMILES notation for [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate?
The canonical SMILES for [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate is CC(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CC(C)(C)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.COC(=O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.O=C(O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate?
The InChIKey is OACSNYJAIZAWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO2.C32H41NO.C30H35NO4.C29H33NO4/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28;1-31(2,3)27-19-17-26(18-20-27)12-10-11-23-33-24-21-30(22-25-33)32(34,28-13-6-4-7-14-28)29-15-8-5-9-16-29;1-35-29(33)24-16-14-23(15-17-24)28(32)13-8-20-31-21-18-27(19-22-31)30(34,25-9-4-2-5-10-25)26-11-6-3-7-12-26;31-27(22-13-15-23(16-14-22)28(32)33)12-7-19-30-20-17-26(18-21-30)29(34,24-8-3-1-4-9-24)25-10-5-2-6-11-25/h4-9,11-14,16-19,29,35H,10,15,20-24H2,1-3H3;4-9,13-20,30,34H,10-12,21-25H2,1-3H3;2-7,9-12,14-17,27-28,32,34H,8,13,18-22H2,1H3;1-6,8-11,13-16,26-27,31,34H,7,12,17-21H2,(H,32,33).
What are the key properties of [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate?
[1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate has a molecular weight of 1858.55 g/mol, XLogP of 23.33, 34 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-tert-butylphenyl)butyl]piperidin-4-yl]-diphenylmethanol;1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoic acid;methyl 4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]benzoate is sourced from PubChem (CID 159934923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).