1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol

C14H23N3O — CID 56730048

IUPAC1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CNCc2ccccn2)C1
InChIInChI=1S/C14H23N3O/c1-2-17-9-5-7-14(18,12-17)11-15-10-13-6-3-4-8-16-13/h3-4,6,8,15,18H,2,5,7,9-12H2,1H3
InChIKeyZHGARTLEEXHEKU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.02
Rot. Bonds5

About 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol

1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol (PubChem CID 56730048) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol
PubChem CID56730048
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CNCc2ccccn2)C1
InChIInChI=1S/C14H23N3O/c1-2-17-9-5-7-14(18,12-17)11-15-10-13-6-3-4-8-16-13/h3-4,6,8,15,18H,2,5,7,9-12H2,1H3
InChIKeyZHGARTLEEXHEKU-UHFFFAOYSA-N
XLogP1.02
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol?
The IUPAC name of 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol (CID 56730048) is 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol.
What is the SMILES notation for 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol?
The canonical SMILES for 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol is CCN1CCCC(O)(CNCc2ccccn2)C1.
What is the InChIKey of 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol?
The InChIKey is ZHGARTLEEXHEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-17-9-5-7-14(18,12-17)11-15-10-13-6-3-4-8-16-13/h3-4,6,8,15,18H,2,5,7,9-12H2,1H3.
What are the key properties of 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol?
1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol has a molecular weight of 249.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(pyridin-2-ylmethylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 56730048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).