2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol

C13H19ClN2O2 — CID 107228582

IUPAC2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ccc(Cl)c(CO)n2)C1
InChIInChI=1S/C13H19ClN2O2/c14-11-3-4-13(15-12(11)9-18)16-6-1-2-10(8-16)5-7-17/h3-4,10,17-18H,1-2,5-9H2
InChIKeyYWABESXKCYJXMA-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.83
Rot. Bonds4

About 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol

2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol (PubChem CID 107228582) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
PubChem CID107228582
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ccc(Cl)c(CO)n2)C1
InChIInChI=1S/C13H19ClN2O2/c14-11-3-4-13(15-12(11)9-18)16-6-1-2-10(8-16)5-7-17/h3-4,10,17-18H,1-2,5-9H2
InChIKeyYWABESXKCYJXMA-UHFFFAOYSA-N
XLogP1.83
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 103761496
1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 62943778
2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228577
1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine
CID 106589169
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689
[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol
CID 61419845
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82691588
2-[1-[4-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228576
3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine
CID 102965992
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107228400

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol (CID 107228582) is 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol is OCCC1CCCN(c2ccc(Cl)c(CO)n2)C1.
What is the InChIKey of 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The InChIKey is YWABESXKCYJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c14-11-3-4-13(15-12(11)9-18)16-6-1-2-10(8-16)5-7-17/h3-4,10,17-18H,1-2,5-9H2.
What are the key properties of 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol has a molecular weight of 270.76 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).