3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine

C12H14Cl2FN — CID 112565315

IUPAC3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
SMILESFC(c1cc(Cl)ccc1Cl)C1CCCNC1
InChIInChI=1S/C12H14Cl2FN/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,16H,1-2,5,7H2
InChIKeyXEQJCBZSXKIOOK-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.00
Rot. Bonds2

About 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine

3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine (PubChem CID 112565315) has the molecular formula C12H14Cl2FN and a molecular weight of 262.15 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
PubChem CID112565315
Molecular FormulaC12H14Cl2FN
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
SMILESFC(c1cc(Cl)ccc1Cl)C1CCCNC1
InChIInChI=1S/C12H14Cl2FN/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,16H,1-2,5,7H2
InChIKeyXEQJCBZSXKIOOK-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-chlorophenyl)-fluoromethyl]azepane
CID 84728201
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836
3-[(2,6-difluoro-3-methylphenyl)-fluoromethyl]piperidine
CID 112565433
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
3-[fluoro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 107290834
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
3-[fluoro(piperidin-3-yl)methyl]pyridin-4-amine
CID 112565468

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine?
The IUPAC name of 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine (CID 112565315) is 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine?
The canonical SMILES for 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine is FC(c1cc(Cl)ccc1Cl)C1CCCNC1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine?
The InChIKey is XEQJCBZSXKIOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FN/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,16H,1-2,5,7H2.
What are the key properties of 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine?
3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine has a molecular weight of 262.15 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine is sourced from PubChem (CID 112565315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).