[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

C19H23ClF6N2O2 — CID 166001211

IUPAC[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C2CCNCC2)cc1OC(F)(F)F)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H22F6N2O2.ClH/c20-18(21,22)14-2-1-9-27(11-14)17(28)15-4-3-13(12-5-7-26-8-6-12)10-16(15)29-19(23,24)25;/h3-4,10,12,14,26H,1-2,5-9,11H2;1H
InChIKeyNLODUZVDEXZMLI-UHFFFAOYSA-N
MW460.85 g/mol
LogP4.89
Rot. Bonds3

About [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 166001211) has the molecular formula C19H23ClF6N2O2 and a molecular weight of 460.85 g/mol. Its IUPAC name is [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID166001211
Molecular FormulaC19H23ClF6N2O2
Molecular Weight460.85 g/mol
Exact Mass460.14
IUPAC Name[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(C2CCNCC2)cc1OC(F)(F)F)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H22F6N2O2.ClH/c20-18(21,22)14-2-1-9-27(11-14)17(28)15-4-3-13(12-5-7-26-8-6-12)10-16(15)29-19(23,24)25;/h3-4,10,12,14,26H,1-2,5-9,11H2;1H
InChIKeyNLODUZVDEXZMLI-UHFFFAOYSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.85
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166001197
(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 171361971
4-piperidin-4-yl-N-propan-2-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001167
N-cyclopentyl-4-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001185
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895
[3-(4-fluorophenyl)azepan-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 121146325
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
(5-bromo-2-iodophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103602631
(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591

Frequently Asked Questions

What is the IUPAC name of [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (CID 166001211) is [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccc(C2CCNCC2)cc1OC(F)(F)F)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is NLODUZVDEXZMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F6N2O2.ClH/c20-18(21,22)14-2-1-9-27(11-14)17(28)15-4-3-13(12-5-7-26-8-6-12)10-16(15)29-19(23,24)25;/h3-4,10,12,14,26H,1-2,5-9,11H2;1H.
What are the key properties of [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 460.85 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 166001211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).