4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol

C27H27ClN2O2 — CID 57278440

IUPAC4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccccc3)(c3ccccc3)ON2)CC1
InChIInChI=1S/C27H27ClN2O2/c28-24-13-11-21(12-14-24)26(31)15-17-30(18-16-26)20-25-19-27(32-29-25,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19,29,31H,15-18,20H2
InChIKeyVNGJCKHEXBWIHV-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.99
Rot. Bonds5

About 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol (PubChem CID 57278440) has the molecular formula C27H27ClN2O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol
PubChem CID57278440
Molecular FormulaC27H27ClN2O2
Molecular Weight446.98 g/mol
Exact Mass446.18
IUPAC Name4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccccc3)(c3ccccc3)ON2)CC1
InChIInChI=1S/C27H27ClN2O2/c28-24-13-11-21(12-14-24)26(31)15-17-30(18-16-26)20-25-19-27(32-29-25,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19,29,31H,15-18,20H2
InChIKeyVNGJCKHEXBWIHV-UHFFFAOYSA-N
XLogP4.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol with MolForge

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Related Compounds

1-Benzhydryl-4-(4-chlorophenyl)piperidin-4-ol
CID 10091033
1-(5-Amino-4,4-diphenyl-pentyl)-4-(4-chloro-phenyl)-piperidin-4-ol
CID 10623381
4-(4-Chloro-phenyl)-1-(3,3-diphenyl-propyl)-piperidin-4-ol
CID 44395410
1-((4-Chlorophenyl)(phenyl)methyl)-4-phenylpiperidin-4-ol
CID 44426834
4-(4-Chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol;hydroiodide
CID 49796697
4-(4-Chloro-phenyl)-1-(4,4-diphenyl-butyl)-piperidin-4-ol
CID 10526132
4-(4-Chloro-phenyl)-1-[4-(4-chloro-phenyl)-4-phenyl-butyl]-piperidin-4-ol
CID 11525302
1-[4,4-Bis-(4-chloro-phenyl)-butyl]-4-(4-chloro-phenyl)-piperidin-4-ol
CID 11642194
1-[[5,5-bis(4-fluorophenyl)-4H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 13178202
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxy-4-phenylbutyl]piperidin-4-ol
CID 23365004
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 56610074
4-(4-Chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 56616338

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol (CID 57278440) is 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccccc3)(c3ccccc3)ON2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is VNGJCKHEXBWIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2/c28-24-13-11-21(12-14-24)26(31)15-17-30(18-16-26)20-25-19-27(32-29-25,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19,29,31H,15-18,20H2.
What are the key properties of 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 446.98 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(5,5-diphenyl-2H-1,2-oxazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 57278440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).