[2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine

C13H21N3O — CID 117096828

IUPAC[2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine
SMILESCN1CCC(C)(Oc2ncccc2CN)CC1
InChIInChI=1S/C13H21N3O/c1-13(5-8-16(2)9-6-13)17-12-11(10-14)4-3-7-15-12/h3-4,7H,5-6,8-10,14H2,1-2H3
InChIKeyGUTRXRRPCUGFOW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds3

About [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine

[2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine (PubChem CID 117096828) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine
PubChem CID117096828
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine
SMILESCN1CCC(C)(Oc2ncccc2CN)CC1
InChIInChI=1S/C13H21N3O/c1-13(5-8-16(2)9-6-13)17-12-11(10-14)4-3-7-15-12/h3-4,7H,5-6,8-10,14H2,1-2H3
InChIKeyGUTRXRRPCUGFOW-UHFFFAOYSA-N
XLogP1.40
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine?
The IUPAC name of [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine (CID 117096828) is [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine is CN1CCC(C)(Oc2ncccc2CN)CC1.
What is the InChIKey of [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine?
The InChIKey is GUTRXRRPCUGFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(5-8-16(2)9-6-13)17-12-11(10-14)4-3-7-15-12/h3-4,7H,5-6,8-10,14H2,1-2H3.
What are the key properties of [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine?
[2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 117096828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).