1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

C15H22ClFN2 — CID 79397443

IUPAC1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(F)cc2Cl)C(C)C1C
InChIInChI=1S/C15H22ClFN2/c1-4-18-14-7-8-19(11(3)10(14)2)15-6-5-12(17)9-13(15)16/h5-6,9-11,14,18H,4,7-8H2,1-3H3
InChIKeyVAMHMXFEXOCZMA-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.69
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine

1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (PubChem CID 79397443) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
PubChem CID79397443
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(c2ccc(F)cc2Cl)C(C)C1C
InChIInChI=1S/C15H22ClFN2/c1-4-18-14-7-8-19(11(3)10(14)2)15-6-5-12(17)9-13(15)16/h5-6,9-11,14,18H,4,7-8H2,1-3H3
InChIKeyVAMHMXFEXOCZMA-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
1-(2,4-dichlorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397728
1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 107528747
1-(2,3-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397318
1-(2-bromo-4-methylphenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397874
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396532
1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397433
1-(2,4-dichlorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397447
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396570
N-ethyl-1-(2-methoxy-5-methylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79397981
1-(2-bromophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396641
1-(4-fluoro-2-methoxyphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407907

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine (CID 79397443) is 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is CCNC1CCN(c2ccc(F)cc2Cl)C(C)C1C.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
The InChIKey is VAMHMXFEXOCZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-4-18-14-7-8-19(11(3)10(14)2)15-6-5-12(17)9-13(15)16/h5-6,9-11,14,18H,4,7-8H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine?
1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine has a molecular weight of 284.81 g/mol, XLogP of 3.69, 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-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79397443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).