3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine

C12H14ClF2N — CID 84802944

IUPAC3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
SMILESFc1cc(Cl)cc(F)c1CC1CCCNC1
InChIInChI=1S/C12H14ClF2N/c13-9-5-11(14)10(12(15)6-9)4-8-2-1-3-16-7-8/h5-6,8,16H,1-4,7H2
InChIKeyRROFFFXXFZOGTR-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.16
Rot. Bonds2

About 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine

3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine (PubChem CID 84802944) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
PubChem CID84802944
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
SMILESFc1cc(Cl)cc(F)c1CC1CCCNC1
InChIInChI=1S/C12H14ClF2N/c13-9-5-11(14)10(12(15)6-9)4-8-2-1-3-16-7-8/h5-6,8,16H,1-4,7H2
InChIKeyRROFFFXXFZOGTR-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[(4-chloro-2,3,5,6-tetrafluorophenyl)methyl]piperidine
CID 117118055
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117385746
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84793216
3-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]piperidine
CID 117460257
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine
CID 117338299
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine?
The IUPAC name of 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine (CID 84802944) is 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine?
The canonical SMILES for 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine is Fc1cc(Cl)cc(F)c1CC1CCCNC1.
What is the InChIKey of 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine?
The InChIKey is RROFFFXXFZOGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-9-5-11(14)10(12(15)6-9)4-8-2-1-3-16-7-8/h5-6,8,16H,1-4,7H2.
What are the key properties of 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine?
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine has a molecular weight of 245.70 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 84802944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).