2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide

C14H20FN3O — CID 79522708

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
SMILESCC(N)C1CCN(c2cccc(F)c2C(N)=O)CC1
InChIInChI=1S/C14H20FN3O/c1-9(16)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19)
InChIKeyFXXHCCVPJKQUMM-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.49
Rot. Bonds3

About 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide

2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide (PubChem CID 79522708) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
PubChem CID79522708
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
SMILESCC(N)C1CCN(c2cccc(F)c2C(N)=O)CC1
InChIInChI=1S/C14H20FN3O/c1-9(16)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19)
InChIKeyFXXHCCVPJKQUMM-UHFFFAOYSA-N
XLogP1.49
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide (CID 79522708) is 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide is CC(N)C1CCN(c2cccc(F)c2C(N)=O)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide?
The InChIKey is FXXHCCVPJKQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9(16)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide has a molecular weight of 265.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide is sourced from PubChem (CID 79522708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).