3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol

C20H28F3N3O3 — CID 147053798

IUPAC3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol
SMILESOC(CCN1CCOCC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H28F3N3O3/c21-20(22,23)17-3-1-2-16(14-17)15-29-24-18-4-8-26(9-5-18)19(27)6-7-25-10-12-28-13-11-25/h1-3,14,19,27H,4-13,15H2
InChIKeyBBVMBGNRTXWXJG-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.71
Rot. Bonds7

About 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol

3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol (PubChem CID 147053798) has the molecular formula C20H28F3N3O3 and a molecular weight of 415.46 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol
PubChem CID147053798
Molecular FormulaC20H28F3N3O3
Molecular Weight415.46 g/mol
Exact Mass415.21
IUPAC Name3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol
SMILESOC(CCN1CCOCC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H28F3N3O3/c21-20(22,23)17-3-1-2-16(14-17)15-29-24-18-4-8-26(9-5-18)19(27)6-7-25-10-12-28-13-11-25/h1-3,14,19,27H,4-13,15H2
InChIKeyBBVMBGNRTXWXJG-UHFFFAOYSA-N
XLogP2.71
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol (CID 147053798) is 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol is OC(CCN1CCOCC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol?
The InChIKey is BBVMBGNRTXWXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O3/c21-20(22,23)17-3-1-2-16(14-17)15-29-24-18-4-8-26(9-5-18)19(27)6-7-25-10-12-28-13-11-25/h1-3,14,19,27H,4-13,15H2.
What are the key properties of 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol?
3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol has a molecular weight of 415.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 147053798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).