1-[(2,6-difluorophenyl)methyl]piperidin-1-ium

C12H16F2N+ — CID 6929042

IUPAC1-[(2,6-difluorophenyl)methyl]piperidin-1-ium
SMILESFc1cccc(F)c1C[NH+]1CCCCC1
InChIInChI=1S/C12H15F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6H,1-3,7-9H2/p+1
InChIKeyOCINSQFYCYSWDE-UHFFFAOYSA-O
MW212.26 g/mol
LogP1.53
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium

1-[(2,6-difluorophenyl)methyl]piperidin-1-ium (PubChem CID 6929042) has the molecular formula C12H16F2N+ and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]piperidin-1-ium
PubChem CID6929042
Molecular FormulaC12H16F2N+
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-[(2,6-difluorophenyl)methyl]piperidin-1-ium
SMILESFc1cccc(F)c1C[NH+]1CCCCC1
InChIInChI=1S/C12H15F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6H,1-3,7-9H2/p+1
InChIKeyOCINSQFYCYSWDE-UHFFFAOYSA-O
XLogP1.53
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium (CID 6929042) is 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium is Fc1cccc(F)c1C[NH+]1CCCCC1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium?
The InChIKey is OCINSQFYCYSWDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15F2N/c13-11-5-4-6-12(14)10(11)9-15-7-2-1-3-8-15/h4-6H,1-3,7-9H2/p+1.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium?
1-[(2,6-difluorophenyl)methyl]piperidin-1-ium has a molecular weight of 212.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]piperidin-1-ium is sourced from PubChem (CID 6929042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).