[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol

C17H22N2O — CID 61421257

IUPAC[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
SMILESCCC1CCN(c2nc3ccccc3cc2CO)CC1
InChIInChI=1S/C17H22N2O/c1-2-13-7-9-19(10-8-13)17-15(12-20)11-14-5-3-4-6-16(14)18-17/h3-6,11,13,20H,2,7-10,12H2,1H3
InChIKeyHTRCRGRVOGCWOO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds3

About [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol

[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol (PubChem CID 61421257) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
PubChem CID61421257
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
SMILESCCC1CCN(c2nc3ccccc3cc2CO)CC1
InChIInChI=1S/C17H22N2O/c1-2-13-7-9-19(10-8-13)17-15(12-20)11-14-5-3-4-6-16(14)18-17/h3-6,11,13,20H,2,7-10,12H2,1H3
InChIKeyHTRCRGRVOGCWOO-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol?
The IUPAC name of [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol (CID 61421257) is [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol?
The canonical SMILES for [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol is CCC1CCN(c2nc3ccccc3cc2CO)CC1.
What is the InChIKey of [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol?
The InChIKey is HTRCRGRVOGCWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-13-7-9-19(10-8-13)17-15(12-20)11-14-5-3-4-6-16(14)18-17/h3-6,11,13,20H,2,7-10,12H2,1H3.
What are the key properties of [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol?
[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol is sourced from PubChem (CID 61421257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).