1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine

C13H21N3 — CID 83122710

IUPAC1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(N2CCCCC2C)cn1
InChIInChI=1S/C13H21N3/c1-10-5-3-4-8-16(10)12-6-7-13(11(2)14)15-9-12/h6-7,9-11H,3-5,8,14H2,1-2H3
InChIKeyDNBWQQUTPHBWJB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.48
Rot. Bonds2

About 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine

1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83122710) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
PubChem CID83122710
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(N2CCCCC2C)cn1
InChIInChI=1S/C13H21N3/c1-10-5-3-4-8-16(10)12-6-7-13(11(2)14)15-9-12/h6-7,9-11H,3-5,8,14H2,1-2H3
InChIKeyDNBWQQUTPHBWJB-UHFFFAOYSA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine (CID 83122710) is 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine is CC(N)c1ccc(N2CCCCC2C)cn1.
What is the InChIKey of 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is DNBWQQUTPHBWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-5-3-4-8-16(10)12-6-7-13(11(2)14)15-9-12/h6-7,9-11H,3-5,8,14H2,1-2H3.
What are the key properties of 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine?
1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83122710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).