[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine

C14H23N3O — CID 66689440

IUPAC[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine
SMILESCN1CCC(CCOc2cc(CN)ccn2)CC1
InChIInChI=1S/C14H23N3O/c1-17-7-3-12(4-8-17)5-9-18-14-10-13(11-15)2-6-16-14/h2,6,10,12H,3-5,7-9,11,15H2,1H3
InChIKeyUOZNKDJDDOPGJY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds5

About [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine

[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine (PubChem CID 66689440) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine
PubChem CID66689440
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine
SMILESCN1CCC(CCOc2cc(CN)ccn2)CC1
InChIInChI=1S/C14H23N3O/c1-17-7-3-12(4-8-17)5-9-18-14-10-13(11-15)2-6-16-14/h2,6,10,12H,3-5,7-9,11,15H2,1H3
InChIKeyUOZNKDJDDOPGJY-UHFFFAOYSA-N
XLogP1.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine?
The IUPAC name of [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine (CID 66689440) is [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine is CN1CCC(CCOc2cc(CN)ccn2)CC1.
What is the InChIKey of [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine?
The InChIKey is UOZNKDJDDOPGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17-7-3-12(4-8-17)5-9-18-14-10-13(11-15)2-6-16-14/h2,6,10,12H,3-5,7-9,11,15H2,1H3.
What are the key properties of [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine?
[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 66689440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).