3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine

C13H19Cl2N3O — CID 79734904

IUPAC3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O/c14-10-8-12(15)13(17-9-10)18-5-2-11(3-6-18)19-7-1-4-16/h8-9,11H,1-7,16H2
InChIKeyFTPNHEAUVSPKCI-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.72
Rot. Bonds5

About 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine

3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine (PubChem CID 79734904) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine
PubChem CID79734904
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O/c14-10-8-12(15)13(17-9-10)18-5-2-11(3-6-18)19-7-1-4-16/h8-9,11H,1-7,16H2
InChIKeyFTPNHEAUVSPKCI-UHFFFAOYSA-N
XLogP2.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine (CID 79734904) is 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine?
The InChIKey is FTPNHEAUVSPKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c14-10-8-12(15)13(17-9-10)18-5-2-11(3-6-18)19-7-1-4-16/h8-9,11H,1-7,16H2.
What are the key properties of 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine?
3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine has a molecular weight of 304.22 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79734904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).