3-[4-chloro-2-(fluoromethyl)phenyl]piperidine

C12H15ClFN — CID 121450848

IUPAC3-[4-chloro-2-(fluoromethyl)phenyl]piperidine
SMILESFCc1cc(Cl)ccc1C1CCCNC1
InChIInChI=1S/C12H15ClFN/c13-11-3-4-12(10(6-11)7-14)9-2-1-5-15-8-9/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyBOINASQMDQNPQT-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.28
Rot. Bonds2

About 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine

3-[4-chloro-2-(fluoromethyl)phenyl]piperidine (PubChem CID 121450848) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[4-chloro-2-(fluoromethyl)phenyl]piperidine
PubChem CID121450848
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-[4-chloro-2-(fluoromethyl)phenyl]piperidine
SMILESFCc1cc(Cl)ccc1C1CCCNC1
InChIInChI=1S/C12H15ClFN/c13-11-3-4-12(10(6-11)7-14)9-2-1-5-15-8-9/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyBOINASQMDQNPQT-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
3-chloro-4-piperidin-3-ylphenol
CID 82612870
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
CID 84688526

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine?
The IUPAC name of 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine (CID 121450848) is 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine.
What is the SMILES notation for 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine?
The canonical SMILES for 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine is FCc1cc(Cl)ccc1C1CCCNC1.
What is the InChIKey of 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine?
The InChIKey is BOINASQMDQNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-3-4-12(10(6-11)7-14)9-2-1-5-15-8-9/h3-4,6,9,15H,1-2,5,7-8H2.
What are the key properties of 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine?
3-[4-chloro-2-(fluoromethyl)phenyl]piperidine has a molecular weight of 227.71 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(fluoromethyl)phenyl]piperidine is sourced from PubChem (CID 121450848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).