[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone

C16H18N2O3 — CID 56890746

IUPAC[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)N1CCCC(O)(CO)C1
InChIInChI=1S/C16H18N2O3/c19-11-16(21)6-3-7-18(10-16)15(20)13-8-12-4-1-2-5-14(12)17-9-13/h1-2,4-5,8-9,19,21H,3,6-7,10-11H2
InChIKeyGMPNGFXEEWVNAZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.19
Rot. Bonds2

About [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone

[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone (PubChem CID 56890746) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
PubChem CID56890746
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)N1CCCC(O)(CO)C1
InChIInChI=1S/C16H18N2O3/c19-11-16(21)6-3-7-18(10-16)15(20)13-8-12-4-1-2-5-14(12)17-9-13/h1-2,4-5,8-9,19,21H,3,6-7,10-11H2
InChIKeyGMPNGFXEEWVNAZ-UHFFFAOYSA-N
XLogP1.19
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
[2-(ethylamino)pyrimidin-5-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56898987
1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910797
[(3S,5R)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97494033
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
CID 155502249
[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-quinolin-3-ylmethanone
CID 97363098
(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone
CID 131657267
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
6-methyl-9-phenyl-2-(quinoline-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641720
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95720301

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone?
The IUPAC name of [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone (CID 56890746) is [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone is O=C(c1cnc2ccccc2c1)N1CCCC(O)(CO)C1.
What is the InChIKey of [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone?
The InChIKey is GMPNGFXEEWVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-11-16(21)6-3-7-18(10-16)15(20)13-8-12-4-1-2-5-14(12)17-9-13/h1-2,4-5,8-9,19,21H,3,6-7,10-11H2.
What are the key properties of [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone?
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone has a molecular weight of 286.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 56890746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).