[1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine

C11H21N5O — CID 114223023

IUPAC[1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine
SMILESCCn1nncc1N1CCC(OC)CC1CN
InChIInChI=1S/C11H21N5O/c1-3-16-11(8-13-14-16)15-5-4-10(17-2)6-9(15)7-12/h8-10H,3-7,12H2,1-2H3
InChIKeyVFQZNGGFDWFYSR-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.24
Rot. Bonds4

About [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine

[1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 114223023) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID114223023
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name[1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine
SMILESCCn1nncc1N1CCC(OC)CC1CN
InChIInChI=1S/C11H21N5O/c1-3-16-11(8-13-14-16)15-5-4-10(17-2)6-9(15)7-12/h8-10H,3-7,12H2,1-2H3
InChIKeyVFQZNGGFDWFYSR-UHFFFAOYSA-N
XLogP0.24
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine (CID 114223023) is [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine is CCn1nncc1N1CCC(OC)CC1CN.
What is the InChIKey of [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is VFQZNGGFDWFYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-16-11(8-13-14-16)15-5-4-10(17-2)6-9(15)7-12/h8-10H,3-7,12H2,1-2H3.
What are the key properties of [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine?
[1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyltriazol-4-yl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 114223023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).