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

C13H18ClFN2 — CID 79398158

IUPAC1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C13H18ClFN2/c1-8-9(2)17(6-5-13(8)16)10-3-4-12(15)11(14)7-10/h3-4,7-9,13H,5-6,16H2,1-2H3
InChIKeyPLDIKKOCWMOJJL-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.04
Rot. Bonds1

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

1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine (PubChem CID 79398158) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine
PubChem CID79398158
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(c2ccc(F)c(Cl)c2)C1C
InChIInChI=1S/C13H18ClFN2/c1-8-9(2)17(6-5-13(8)16)10-3-4-12(15)11(14)7-10/h3-4,7-9,13H,5-6,16H2,1-2H3
InChIKeyPLDIKKOCWMOJJL-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine (CID 79398158) is 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine is CC1C(N)CCN(c2ccc(F)c(Cl)c2)C1C.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is PLDIKKOCWMOJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-8-9(2)17(6-5-13(8)16)10-3-4-12(15)11(14)7-10/h3-4,7-9,13H,5-6,16H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine?
1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine has a molecular weight of 256.75 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79398158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).