1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol

C13H21N3O — CID 83122210

IUPAC1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol
SMILESCNC(C)c1ccc(N2CCC(O)CC2)cn1
InChIInChI=1S/C13H21N3O/c1-10(14-2)13-4-3-11(9-15-13)16-7-5-12(17)6-8-16/h3-4,9-10,12,14,17H,5-8H2,1-2H3
InChIKeyMQDOOHXMSGKUGA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.32
Rot. Bonds3

About 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol

1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol (PubChem CID 83122210) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol
PubChem CID83122210
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol
SMILESCNC(C)c1ccc(N2CCC(O)CC2)cn1
InChIInChI=1S/C13H21N3O/c1-10(14-2)13-4-3-11(9-15-13)16-7-5-12(17)6-8-16/h3-4,9-10,12,14,17H,5-8H2,1-2H3
InChIKeyMQDOOHXMSGKUGA-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol (CID 83122210) is 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol is CNC(C)c1ccc(N2CCC(O)CC2)cn1.
What is the InChIKey of 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol?
The InChIKey is MQDOOHXMSGKUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14-2)13-4-3-11(9-15-13)16-7-5-12(17)6-8-16/h3-4,9-10,12,14,17H,5-8H2,1-2H3.
What are the key properties of 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol?
1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 83122210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).