1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

C15H22F2N2 — CID 79397433

IUPAC1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2c(F)cccc2F)C(C)C1C
InChIInChI=1S/C15H22F2N2/c1-4-18-14-8-9-19(11(3)10(14)2)15-12(16)6-5-7-13(15)17/h5-7,10-11,14,18H,4,8-9H2,1-3H3
InChIKeyMOLWKXVERZHSGJ-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.18
Rot. Bonds3

About 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (PubChem CID 79397433) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
PubChem CID79397433
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2c(F)cccc2F)C(C)C1C
InChIInChI=1S/C15H22F2N2/c1-4-18-14-8-9-19(11(3)10(14)2)15-12(16)6-5-7-13(15)17/h5-7,10-11,14,18H,4,8-9H2,1-3H3
InChIKeyMOLWKXVERZHSGJ-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (CID 79397433) is 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is CCNC1CCN(c2c(F)cccc2F)C(C)C1C.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The InChIKey is MOLWKXVERZHSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-4-18-14-8-9-19(11(3)10(14)2)15-12(16)6-5-7-13(15)17/h5-7,10-11,14,18H,4,8-9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine has a molecular weight of 268.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79397433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).