[4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate

C14H15ClF3NO2 — CID 68537077

IUPAC[4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(Cc2ccc(Cl)cc2)CC1)C(F)(F)F
InChIInChI=1S/C14H15ClF3NO2/c15-12-3-1-10(2-4-12)9-11-5-7-19(8-6-11)21-13(20)14(16,17)18/h1-4,11H,5-9H2
InChIKeyMSUFKQPPTJVCAJ-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.62
Rot. Bonds3

About [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate

[4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 68537077) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID68537077
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC Name[4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC(Cc2ccc(Cl)cc2)CC1)C(F)(F)F
InChIInChI=1S/C14H15ClF3NO2/c15-12-3-1-10(2-4-12)9-11-5-7-19(8-6-11)21-13(20)14(16,17)18/h1-4,11H,5-9H2
InChIKeyMSUFKQPPTJVCAJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate (CID 68537077) is [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate is O=C(ON1CCC(Cc2ccc(Cl)cc2)CC1)C(F)(F)F.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is MSUFKQPPTJVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO2/c15-12-3-1-10(2-4-12)9-11-5-7-19(8-6-11)21-13(20)14(16,17)18/h1-4,11H,5-9H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 321.73 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68537077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).