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

C16H24ClFN2 — CID 79396532

IUPAC1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(Cl)ccc2F)C(C)C1C
InChIInChI=1S/C16H24ClFN2/c1-4-8-19-15-7-9-20(12(3)11(15)2)16-10-13(17)5-6-14(16)18/h5-6,10-12,15,19H,4,7-9H2,1-3H3
InChIKeyZQURLFTXBCTYTG-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.08
Rot. Bonds4

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

1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine (PubChem CID 79396532) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
PubChem CID79396532
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(Cl)ccc2F)C(C)C1C
InChIInChI=1S/C16H24ClFN2/c1-4-8-19-15-7-9-20(12(3)11(15)2)16-10-13(17)5-6-14(16)18/h5-6,10-12,15,19H,4,7-9H2,1-3H3
InChIKeyZQURLFTXBCTYTG-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine (CID 79396532) is 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine is CCCNC1CCN(c2cc(Cl)ccc2F)C(C)C1C.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The InChIKey is ZQURLFTXBCTYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-4-8-19-15-7-9-20(12(3)11(15)2)16-10-13(17)5-6-14(16)18/h5-6,10-12,15,19H,4,7-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine has a molecular weight of 298.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 79396532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).