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

C16H20N2O2 — CID 61252810

IUPAC[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESOCc1cc(N2CCCC(CO)C2)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c19-10-12-4-3-7-18(9-12)16-8-13(11-20)14-5-1-2-6-15(14)17-16/h1-2,5-6,8,12,19-20H,3-4,7,9-11H2
InChIKeyVQGBWFIGKNUQDV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.94
Rot. Bonds3

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

[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol (PubChem CID 61252810) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
PubChem CID61252810
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
SMILESOCc1cc(N2CCCC(CO)C2)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c19-10-12-4-3-7-18(9-12)16-8-13(11-20)14-5-1-2-6-15(14)17-16/h1-2,5-6,8,12,19-20H,3-4,7,9-11H2
InChIKeyVQGBWFIGKNUQDV-UHFFFAOYSA-N
XLogP1.94
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
2-(3-ethylpiperidin-1-yl)quinoline-4-carbothioamide
CID 63885900
[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
CID 62973118
[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol
CID 65282785
[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol
CID 61256254
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)quinolin-4-yl]methanol
CID 65320137
[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol
CID 62814996
4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid
CID 64622897
2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107228565
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176

Frequently Asked Questions

What is the IUPAC name of [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol (CID 61252810) is [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol is OCc1cc(N2CCCC(CO)C2)nc2ccccc12.
What is the InChIKey of [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol?
The InChIKey is VQGBWFIGKNUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-10-12-4-3-7-18(9-12)16-8-13(11-20)14-5-1-2-6-15(14)17-16/h1-2,5-6,8,12,19-20H,3-4,7,9-11H2.
What are the key properties of [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol?
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 61252810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).