1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine

C14H20ClFN2 — CID 107528747

IUPAC1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2cc(F)ccc2Cl)C(C)C1C
InChIInChI=1S/C14H20ClFN2/c1-9-10(2)18(7-6-13(9)17-3)14-8-11(16)4-5-12(14)15/h4-5,8-10,13,17H,6-7H2,1-3H3
InChIKeyQYNLBPBMUOFESJ-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.30
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine

1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine (PubChem CID 107528747) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine
PubChem CID107528747
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2cc(F)ccc2Cl)C(C)C1C
InChIInChI=1S/C14H20ClFN2/c1-9-10(2)18(7-6-13(9)17-3)14-8-11(16)4-5-12(14)15/h4-5,8-10,13,17H,6-7H2,1-3H3
InChIKeyQYNLBPBMUOFESJ-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407907
1-(2,4-dichlorophenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397447
1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397443
1-[4-chloro-2-(trifluoromethyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396868
1-(2,5-difluoro-4-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 103586219
1-(2,5-dichlorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397871
1-(3-fluoro-2-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407513
1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
CID 116784923
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79408179
1-[2-(difluoromethylsulfanyl)phenyl]-N,2,3-trimethylpiperidin-4-amine
CID 79396526
1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397573
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396532

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine (CID 107528747) is 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(c2cc(F)ccc2Cl)C(C)C1C.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is QYNLBPBMUOFESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-9-10(2)18(7-6-13(9)17-3)14-8-11(16)4-5-12(14)15/h4-5,8-10,13,17H,6-7H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine?
1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 107528747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).