2-(1-pyridin-4-ylpiperidin-4-yl)ethanol

C12H18N2O — CID 54222674

IUPAC2-(1-pyridin-4-ylpiperidin-4-yl)ethanol
SMILESOCCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C12H18N2O/c15-10-5-11-3-8-14(9-4-11)12-1-6-13-7-2-12/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyQDRWOSOVGSQOGC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.68
Rot. Bonds3

About 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol

2-(1-pyridin-4-ylpiperidin-4-yl)ethanol (PubChem CID 54222674) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-pyridin-4-ylpiperidin-4-yl)ethanol
PubChem CID54222674
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(1-pyridin-4-ylpiperidin-4-yl)ethanol
SMILESOCCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C12H18N2O/c15-10-5-11-3-8-14(9-4-11)12-1-6-13-7-2-12/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyQDRWOSOVGSQOGC-UHFFFAOYSA-N
XLogP1.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol?
The IUPAC name of 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol (CID 54222674) is 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol?
The canonical SMILES for 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol is OCCC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol?
The InChIKey is QDRWOSOVGSQOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-10-5-11-3-8-14(9-4-11)12-1-6-13-7-2-12/h1-2,6-7,11,15H,3-5,8-10H2.
What are the key properties of 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol?
2-(1-pyridin-4-ylpiperidin-4-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-4-ylpiperidin-4-yl)ethanol is sourced from PubChem (CID 54222674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).