1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine

C14H19ClF2N2 — CID 83088384

IUPAC1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(c2c(F)cc(F)cc2Cl)C(C)C1
InChIInChI=1S/C14H19ClF2N2/c1-3-18-11-4-5-19(9(2)6-11)14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,3-6H2,1-2H3
InChIKeyGHMZALFXQFBDJM-UHFFFAOYSA-N
MW288.77 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine

1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine (PubChem CID 83088384) has the molecular formula C14H19ClF2N2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine
PubChem CID83088384
Molecular FormulaC14H19ClF2N2
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC Name1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(c2c(F)cc(F)cc2Cl)C(C)C1
InChIInChI=1S/C14H19ClF2N2/c1-3-18-11-4-5-19(9(2)6-11)14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,3-6H2,1-2H3
InChIKeyGHMZALFXQFBDJM-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluoro-5-methylphenyl)-2-methylpiperidin-4-amine
CID 54975831
N-ethyl-2-methyl-1-(3-methylphenyl)piperidin-4-amine
CID 54975435
1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 54975744
2-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83082551
N-[[1-(2-chloro-4,6-difluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 83088385
1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 54975580
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpiperidin-4-amine
CID 54975441
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739482
N-ethyl-2-methyl-1-(4-methyl-3-pyridinyl)piperidin-4-amine
CID 55202268
N-ethyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
CID 107644995
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine (CID 83088384) is 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine is CCNC1CCN(c2c(F)cc(F)cc2Cl)C(C)C1.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine?
The InChIKey is GHMZALFXQFBDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2/c1-3-18-11-4-5-19(9(2)6-11)14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,3-6H2,1-2H3.
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine?
1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine has a molecular weight of 288.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 83088384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).