N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine

C19H24FN3O — CID 75428443

IUPACN-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCC(CNC1CCN(c2ccccn2)CC1)Oc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-15(24-18-7-5-16(20)6-8-18)14-22-17-9-12-23(13-10-17)19-4-2-3-11-21-19/h2-8,11,15,17,22H,9-10,12-14H2,1H3
InChIKeyPNNKKDKOLMUWEN-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.25
Rot. Bonds6

About N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine

N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 75428443) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID75428443
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCC(CNC1CCN(c2ccccn2)CC1)Oc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-15(24-18-7-5-16(20)6-8-18)14-22-17-9-12-23(13-10-17)19-4-2-3-11-21-19/h2-8,11,15,17,22H,9-10,12-14H2,1H3
InChIKeyPNNKKDKOLMUWEN-UHFFFAOYSA-N
XLogP3.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine (CID 75428443) is N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine is CC(CNC1CCN(c2ccccn2)CC1)Oc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is PNNKKDKOLMUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-15(24-18-7-5-16(20)6-8-18)14-22-17-9-12-23(13-10-17)19-4-2-3-11-21-19/h2-8,11,15,17,22H,9-10,12-14H2,1H3.
What are the key properties of N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 329.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 75428443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).