1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol

C13H21N3O — CID 114683895

IUPAC1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol
SMILESCCNc1cncc(N2CCC(O)C(C)C2)c1
InChIInChI=1S/C13H21N3O/c1-3-15-11-6-12(8-14-7-11)16-5-4-13(17)10(2)9-16/h6-8,10,13,15,17H,3-5,9H2,1-2H3
InChIKeyAEXCJLMWFXCKKW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.72
Rot. Bonds3

About 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol

1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol (PubChem CID 114683895) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol
PubChem CID114683895
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol
SMILESCCNc1cncc(N2CCC(O)C(C)C2)c1
InChIInChI=1S/C13H21N3O/c1-3-15-11-6-12(8-14-7-11)16-5-4-13(17)10(2)9-16/h6-8,10,13,15,17H,3-5,9H2,1-2H3
InChIKeyAEXCJLMWFXCKKW-UHFFFAOYSA-N
XLogP1.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol (CID 114683895) is 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol is CCNc1cncc(N2CCC(O)C(C)C2)c1.
What is the InChIKey of 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol?
The InChIKey is AEXCJLMWFXCKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-15-11-6-12(8-14-7-11)16-5-4-13(17)10(2)9-16/h6-8,10,13,15,17H,3-5,9H2,1-2H3.
What are the key properties of 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol?
1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114683895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).