4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine

C13H15ClF3NO — CID 58644939

IUPAC4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine
SMILESCOc1cc(C2CCNC(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C13H15ClF3NO/c1-19-11-6-8(2-3-10(11)14)9-4-5-18-12(7-9)13(15,16)17/h2-3,6,9,12,18H,4-5,7H2,1H3
InChIKeyIOQJGPUDLBGQPM-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.75
Rot. Bonds2

About 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine

4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine (PubChem CID 58644939) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine
PubChem CID58644939
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine
SMILESCOc1cc(C2CCNC(C(F)(F)F)C2)ccc1Cl
InChIInChI=1S/C13H15ClF3NO/c1-19-11-6-8(2-3-10(11)14)9-4-5-18-12(7-9)13(15,16)17/h2-3,6,9,12,18H,4-5,7H2,1H3
InChIKeyIOQJGPUDLBGQPM-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine (CID 58644939) is 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine is COc1cc(C2CCNC(C(F)(F)F)C2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine?
The InChIKey is IOQJGPUDLBGQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-19-11-6-8(2-3-10(11)14)9-4-5-18-12(7-9)13(15,16)17/h2-3,6,9,12,18H,4-5,7H2,1H3.
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine?
4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine has a molecular weight of 293.72 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 58644939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).