1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine

C12H13ClF3NO — CID 175748238

IUPAC1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1cc(Cl)cc(N2CCCCC2)c1
InChIInChI=1S/C12H13ClF3NO/c13-9-6-10(17-4-2-1-3-5-17)8-11(7-9)18-12(14,15)16/h6-8H,1-5H2
InChIKeyYWLXWARFHQBCGG-UHFFFAOYSA-N
MW279.69 g/mol
LogP4.23
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine

1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine (PubChem CID 175748238) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
PubChem CID175748238
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1cc(Cl)cc(N2CCCCC2)c1
InChIInChI=1S/C12H13ClF3NO/c13-9-6-10(17-4-2-1-3-5-17)8-11(7-9)18-12(14,15)16/h6-8H,1-5H2
InChIKeyYWLXWARFHQBCGG-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
1-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 123919378
1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine
CID 168514885
3-morpholin-4-yl-5-(trifluoromethoxy)benzoic acid
CID 67454022
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine
CID 168513619
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024
1-chloro-3-iodo-5-(trifluoromethoxy)benzene
CID 148567184
1-(3-chlorophenyl)azonane
CID 145391535
N'-[N'-[3-chloro-5-(trifluoromethoxy)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172764388
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
1-[4-(trifluoromethoxy)phenoxy]piperidine
CID 56985535

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine (CID 175748238) is 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine is FC(F)(F)Oc1cc(Cl)cc(N2CCCCC2)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is YWLXWARFHQBCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c13-9-6-10(17-4-2-1-3-5-17)8-11(7-9)18-12(14,15)16/h6-8H,1-5H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine?
1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 279.69 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 175748238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).