4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol

C27H35ClFN3O3 — CID 10744104

IUPAC4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCC/C(=N\OCCN2CCOCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H35ClFN3O3/c28-24-7-5-23(6-8-24)27(33)11-14-31(15-12-27)13-1-2-26(22-3-9-25(29)10-4-22)30-35-21-18-32-16-19-34-20-17-32/h3-10,33H,1-2,11-21H2/b30-26+
InChIKeyZMHMMSSWFRWYST-URGPHPNLSA-N
MW504.05 g/mol
LogP4.30
Rot. Bonds10

About 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol (PubChem CID 10744104) has the molecular formula C27H35ClFN3O3 and a molecular weight of 504.05 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol
PubChem CID10744104
Molecular FormulaC27H35ClFN3O3
Molecular Weight504.05 g/mol
Exact Mass503.24
IUPAC Name4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCC/C(=N\OCCN2CCOCC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H35ClFN3O3/c28-24-7-5-23(6-8-24)27(33)11-14-31(15-12-27)13-1-2-26(22-3-9-25(29)10-4-22)30-35-21-18-32-16-19-34-20-17-32/h3-10,33H,1-2,11-21H2/b30-26+
InChIKeyZMHMMSSWFRWYST-URGPHPNLSA-N
XLogP4.30
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.05
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol (CID 10744104) is 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCC/C(=N\OCCN2CCOCC2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol?
The InChIKey is ZMHMMSSWFRWYST-URGPHPNLSA-N. The full InChI is InChI=1S/C27H35ClFN3O3/c28-24-7-5-23(6-8-24)27(33)11-14-31(15-12-27)13-1-2-26(22-3-9-25(29)10-4-22)30-35-21-18-32-16-19-34-20-17-32/h3-10,33H,1-2,11-21H2/b30-26+.
What are the key properties of 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol has a molecular weight of 504.05 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(4E)-4-(4-fluorophenyl)-4-(2-morpholin-4-ylethoxyimino)butyl]piperidin-4-ol is sourced from PubChem (CID 10744104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).