2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol

C17H22N2O2 — CID 95632037

IUPAC2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
SMILESOCCO[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C17H22N2O2/c20-10-11-21-16-5-3-9-19(13-16)12-15-8-7-14-4-1-2-6-17(14)18-15/h1-2,4,6-8,16,20H,3,5,9-13H2/t16-/m1/s1
InChIKeyPNHRZMGCGIWMFL-MRXNPFEDSA-N
MW286.37 g/mol
LogP2.21
Rot. Bonds5

About 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol

2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol (PubChem CID 95632037) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
PubChem CID95632037
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
SMILESOCCO[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C17H22N2O2/c20-10-11-21-16-5-3-9-19(13-16)12-15-8-7-14-4-1-2-6-17(14)18-15/h1-2,4,6-8,16,20H,3,5,9-13H2/t16-/m1/s1
InChIKeyPNHRZMGCGIWMFL-MRXNPFEDSA-N
XLogP2.21
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol (CID 95632037) is 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol is OCCO[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol?
The InChIKey is PNHRZMGCGIWMFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-10-11-21-16-5-3-9-19(13-16)12-15-8-7-14-4-1-2-6-17(14)18-15/h1-2,4,6-8,16,20H,3,5,9-13H2/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol?
2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol has a molecular weight of 286.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 95632037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).