[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine

C14H23N3O — CID 114284152

IUPAC[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine
SMILESCOC1(CN)CCN(CCc2cccnc2)CC1
InChIInChI=1S/C14H23N3O/c1-18-14(12-15)5-9-17(10-6-14)8-4-13-3-2-7-16-11-13/h2-3,7,11H,4-6,8-10,12,15H2,1H3
InChIKeyDETWAALEIDPIKK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.06
Rot. Bonds5

About [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine

[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine (PubChem CID 114284152) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine
PubChem CID114284152
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine
SMILESCOC1(CN)CCN(CCc2cccnc2)CC1
InChIInChI=1S/C14H23N3O/c1-18-14(12-15)5-9-17(10-6-14)8-4-13-3-2-7-16-11-13/h2-3,7,11H,4-6,8-10,12,15H2,1H3
InChIKeyDETWAALEIDPIKK-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide
CID 77011852
7-(2-pyridin-3-ylethyl)-4,7-diazaspiro[2.5]octane
CID 134406396
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 63262779
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
CID 171388657
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
CID 63849817
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine (CID 114284152) is [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine is COC1(CN)CCN(CCc2cccnc2)CC1.
What is the InChIKey of [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine?
The InChIKey is DETWAALEIDPIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-18-14(12-15)5-9-17(10-6-14)8-4-13-3-2-7-16-11-13/h2-3,7,11H,4-6,8-10,12,15H2,1H3.
What are the key properties of [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine?
[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 114284152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).