3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol

C17H22N2O — CID 114511029

IUPAC3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
SMILESCCC1CN(Cc2ccc3ccccc3n2)CCC1O
InChIInChI=1S/C17H22N2O/c1-2-13-11-19(10-9-17(13)20)12-15-8-7-14-5-3-4-6-16(14)18-15/h3-8,13,17,20H,2,9-12H2,1H3
InChIKeyILALNAGVRIBAOQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.83
Rot. Bonds3

About 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol

3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol (PubChem CID 114511029) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
PubChem CID114511029
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
SMILESCCC1CN(Cc2ccc3ccccc3n2)CCC1O
InChIInChI=1S/C17H22N2O/c1-2-13-11-19(10-9-17(13)20)12-15-8-7-14-5-3-4-6-16(14)18-15/h3-8,13,17,20H,2,9-12H2,1H3
InChIKeyILALNAGVRIBAOQ-UHFFFAOYSA-N
XLogP2.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol (CID 114511029) is 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol is CCC1CN(Cc2ccc3ccccc3n2)CCC1O.
What is the InChIKey of 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol?
The InChIKey is ILALNAGVRIBAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-13-11-19(10-9-17(13)20)12-15-8-7-14-5-3-4-6-16(14)18-15/h3-8,13,17,20H,2,9-12H2,1H3.
What are the key properties of 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol?
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol has a molecular weight of 270.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 114511029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).