1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol

C15H18F3NO2 — CID 170255322

IUPAC1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)OC1(c2ccccc2)CCNCC1)C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-11(15(16,17)18)13(20)21-14(7-9-19-10-8-14)12-5-3-2-4-6-12/h2-6,13,19-20H,1,7-10H2
InChIKeyORDUOMQBXSUBBL-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol

1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 170255322) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID170255322
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)OC1(c2ccccc2)CCNCC1)C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-11(15(16,17)18)13(20)21-14(7-9-19-10-8-14)12-5-3-2-4-6-12/h2-6,13,19-20H,1,7-10H2
InChIKeyORDUOMQBXSUBBL-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methoxy-4-phenylpiperidine
CID 144662797
1-(3-chlorophenyl)-2-(4-phenylpiperidin-4-yl)oxyethane-1,2-diol
CID 170255817
(4-phenylpiperidin-4-yl) 9-hydroxyfluorene-9-carboxylate
CID 167314746
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944
(4-phenylpiperidin-4-yl) 2-chloroacetate
CID 167316132
1-[4-(4-bromophenyl)piperidin-4-yl]oxy-2-iodo-2-methylpropan-1-ol
CID 170386857
(4-phenylpiperidin-4-yl) 2,3-dichloropropanoate
CID 167315272
(4-phenylpiperidin-4-yl) 2-ethoxybenzoate
CID 167315887
(4-phenylpiperidin-4-yl) 2-phenoxypropanoate
CID 167315051
(4-phenylpiperidin-4-yl) 4-bromobutanoate
CID 167315705
1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-phenylpiperidin-4-yl)propan-1-ol
CID 22918543

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol (CID 170255322) is 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)OC1(c2ccccc2)CCNCC1)C(F)(F)F.
What is the InChIKey of 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is ORDUOMQBXSUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-11(15(16,17)18)13(20)21-14(7-9-19-10-8-14)12-5-3-2-4-6-12/h2-6,13,19-20H,1,7-10H2.
What are the key properties of 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol?
1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 301.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperidin-4-yl)oxy-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 170255322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).