[5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol

C16H24N2O2 — CID 176569247

IUPAC[5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol
SMILESOCC1CCc2c(cccc2[C@H]2CNC[C@@H](CO)C2)N1
InChIInChI=1S/C16H24N2O2/c19-9-11-6-12(8-17-7-11)14-2-1-3-16-15(14)5-4-13(10-20)18-16/h1-3,11-13,17-20H,4-10H2/t11-,12+,13?/m0/s1
InChIKeyUKTAZBPMFDEWLP-LAGVYOHYSA-N
MW276.38 g/mol
LogP1.09
Rot. Bonds3

About [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol

[5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol (PubChem CID 176569247) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol
PubChem CID176569247
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol
SMILESOCC1CCc2c(cccc2[C@H]2CNC[C@@H](CO)C2)N1
InChIInChI=1S/C16H24N2O2/c19-9-11-6-12(8-17-7-11)14-2-1-3-16-15(14)5-4-13(10-20)18-16/h1-3,11-13,17-20H,4-10H2/t11-,12+,13?/m0/s1
InChIKeyUKTAZBPMFDEWLP-LAGVYOHYSA-N
XLogP1.09
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The IUPAC name of [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol (CID 176569247) is [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol.
What is the SMILES notation for [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The canonical SMILES for [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol is OCC1CCc2c(cccc2[C@H]2CNC[C@@H](CO)C2)N1.
What is the InChIKey of [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The InChIKey is UKTAZBPMFDEWLP-LAGVYOHYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-9-11-6-12(8-17-7-11)14-2-1-3-16-15(14)5-4-13(10-20)18-16/h1-3,11-13,17-20H,4-10H2/t11-,12+,13?/m0/s1.
What are the key properties of [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
[5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol has a molecular weight of 276.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol is sourced from PubChem (CID 176569247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).