1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine

C12H16F2N2 — CID 107514198

IUPAC1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine
SMILESCc1ccc(N2CCC(N)CC2)c(F)c1F
InChIInChI=1S/C12H16F2N2/c1-8-2-3-10(12(14)11(8)13)16-6-4-9(15)5-7-16/h2-3,9H,4-7,15H2,1H3
InChIKeyXKULWPQUFZRVFN-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.20
Rot. Bonds1

About 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine

1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine (PubChem CID 107514198) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine
PubChem CID107514198
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine
SMILESCc1ccc(N2CCC(N)CC2)c(F)c1F
InChIInChI=1S/C12H16F2N2/c1-8-2-3-10(12(14)11(8)13)16-6-4-9(15)5-7-16/h2-3,9H,4-7,15H2,1H3
InChIKeyXKULWPQUFZRVFN-UHFFFAOYSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine (CID 107514198) is 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine is Cc1ccc(N2CCC(N)CC2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine?
The InChIKey is XKULWPQUFZRVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-8-2-3-10(12(14)11(8)13)16-6-4-9(15)5-7-16/h2-3,9H,4-7,15H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine?
1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine has a molecular weight of 226.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 107514198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).