1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride

C10H15Cl2N3 — CID 50986999

IUPAC1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride
SMILESNC1CCN(c2cccc(Cl)n2)CC1.[Cl-].[H+]
InChIInChI=1S/C10H14ClN3.ClH/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14;/h1-3,8H,4-7,12H2;1H
InChIKeyFUMINTAAUJUVMP-UHFFFAOYSA-N
MW248.16 g/mol
LogP-1.22
Rot. Bonds1

About 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride

1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride (PubChem CID 50986999) has the molecular formula C10H15Cl2N3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride
PubChem CID50986999
Molecular FormulaC10H15Cl2N3
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride
SMILESNC1CCN(c2cccc(Cl)n2)CC1.[Cl-].[H+]
InChIInChI=1S/C10H14ClN3.ClH/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14;/h1-3,8H,4-7,12H2;1H
InChIKeyFUMINTAAUJUVMP-UHFFFAOYSA-N
XLogP-1.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride?
The IUPAC name of 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride (CID 50986999) is 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride is NC1CCN(c2cccc(Cl)n2)CC1.[Cl-].[H+].
What is the InChIKey of 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride?
The InChIKey is FUMINTAAUJUVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3.ClH/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14;/h1-3,8H,4-7,12H2;1H.
What are the key properties of 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride?
1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride has a molecular weight of 248.16 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydron;chloride is sourced from PubChem (CID 50986999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).