1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine

C15H22F2N2 — CID 16782880

IUPAC1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(CC(N)c2c(F)cccc2F)C1
InChIInChI=1S/C15H22F2N2/c1-10-6-11(2)8-19(7-10)9-14(18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3
InChIKeyNXBKZYBHQJOXTB-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine

1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (PubChem CID 16782880) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
PubChem CID16782880
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(CC(N)c2c(F)cccc2F)C1
InChIInChI=1S/C15H22F2N2/c1-10-6-11(2)8-19(7-10)9-14(18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3
InChIKeyNXBKZYBHQJOXTB-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
CID 86262880
1-[2-(3,5-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-methylethanamine
CID 43284267
1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine
CID 16781787
3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941117
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101
3,5-dimethyl-1-(2-methylpropyl)piperidine
CID 20562086
1-[2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63532709

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (CID 16782880) is 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is CC1CC(C)CN(CC(N)c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is NXBKZYBHQJOXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10-6-11(2)8-19(7-10)9-14(18)15-12(16)4-3-5-13(15)17/h3-5,10-11,14H,6-9,18H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
1-(2,6-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.94, 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)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 16782880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).