1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine

C13H17N3 — CID 87778431

IUPAC1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine
SMILESC#Cc1cncc(N2CCCCC2NC)c1
InChIInChI=1S/C13H17N3/c1-3-11-8-12(10-15-9-11)16-7-5-4-6-13(16)14-2/h1,8-10,13-14H,4-7H2,2H3
InChIKeyVFNOBNGWHILQTG-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.60
Rot. Bonds2

About 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine

1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine (PubChem CID 87778431) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine.

Molecular Properties

Compound Name1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine
PubChem CID87778431
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine
SMILESC#Cc1cncc(N2CCCCC2NC)c1
InChIInChI=1S/C13H17N3/c1-3-11-8-12(10-15-9-11)16-7-5-4-6-13(16)14-2/h1,8-10,13-14H,4-7H2,2H3
InChIKeyVFNOBNGWHILQTG-UHFFFAOYSA-N
XLogP1.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine?
The IUPAC name of 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine (CID 87778431) is 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine.
What is the SMILES notation for 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine?
The canonical SMILES for 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine is C#Cc1cncc(N2CCCCC2NC)c1.
What is the InChIKey of 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine?
The InChIKey is VFNOBNGWHILQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-11-8-12(10-15-9-11)16-7-5-4-6-13(16)14-2/h1,8-10,13-14H,4-7H2,2H3.
What are the key properties of 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine?
1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethynyl-3-pyridinyl)-N-methylpiperidin-2-amine is sourced from PubChem (CID 87778431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).