[2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol

C17H22N2O — CID 62330017

IUPAC[2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol
SMILESCC1CCN(c2cc(CO)c3ccccc3n2)C(C)C1
InChIInChI=1S/C17H22N2O/c1-12-7-8-19(13(2)9-12)17-10-14(11-20)15-5-3-4-6-16(15)18-17/h3-6,10,12-13,20H,7-9,11H2,1-2H3
InChIKeyHVOBZBXJHKOYEH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds2

About [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol

[2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol (PubChem CID 62330017) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol
PubChem CID62330017
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol
SMILESCC1CCN(c2cc(CO)c3ccccc3n2)C(C)C1
InChIInChI=1S/C17H22N2O/c1-12-7-8-19(13(2)9-12)17-10-14(11-20)15-5-3-4-6-16(15)18-17/h3-6,10,12-13,20H,7-9,11H2,1-2H3
InChIKeyHVOBZBXJHKOYEH-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol?
The IUPAC name of [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol (CID 62330017) is [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol.
What is the SMILES notation for [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol?
The canonical SMILES for [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol is CC1CCN(c2cc(CO)c3ccccc3n2)C(C)C1.
What is the InChIKey of [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol?
The InChIKey is HVOBZBXJHKOYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-7-8-19(13(2)9-12)17-10-14(11-20)15-5-3-4-6-16(15)18-17/h3-6,10,12-13,20H,7-9,11H2,1-2H3.
What are the key properties of [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol?
[2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylpiperidin-1-yl)quinolin-4-yl]methanol is sourced from PubChem (CID 62330017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).