N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine

C17H20FN3 — CID 95825226

IUPACN-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine
SMILESFc1ccccc1CNc1ccnc(C2CCNCC2)c1
InChIInChI=1S/C17H20FN3/c18-16-4-2-1-3-14(16)12-21-15-7-10-20-17(11-15)13-5-8-19-9-6-13/h1-4,7,10-11,13,19H,5-6,8-9,12H2,(H,20,21)
InChIKeyXRFULRVIFZXVDK-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.30
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine

N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine (PubChem CID 95825226) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine
PubChem CID95825226
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine
SMILESFc1ccccc1CNc1ccnc(C2CCNCC2)c1
InChIInChI=1S/C17H20FN3/c18-16-4-2-1-3-14(16)12-21-15-7-10-20-17(11-15)13-5-8-19-9-6-13/h1-4,7,10-11,13,19H,5-6,8-9,12H2,(H,20,21)
InChIKeyXRFULRVIFZXVDK-UHFFFAOYSA-N
XLogP3.30
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine (CID 95825226) is N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine is Fc1ccccc1CNc1ccnc(C2CCNCC2)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine?
The InChIKey is XRFULRVIFZXVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c18-16-4-2-1-3-14(16)12-21-15-7-10-20-17(11-15)13-5-8-19-9-6-13/h1-4,7,10-11,13,19H,5-6,8-9,12H2,(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine?
N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine is sourced from PubChem (CID 95825226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).