2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol

C13H19ClN2O3 — CID 82691588

IUPAC2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2ccc(Cl)c(CO)n2)CC1
InChIInChI=1S/C13H19ClN2O3/c14-11-1-2-13(15-12(11)9-18)16-5-3-10(4-6-16)19-8-7-17/h1-2,10,17-18H,3-9H2
InChIKeyMJIHXDZPPIEIRW-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.21
Rot. Bonds5

About 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol

2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol (PubChem CID 82691588) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
PubChem CID82691588
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2ccc(Cl)c(CO)n2)CC1
InChIInChI=1S/C13H19ClN2O3/c14-11-1-2-13(15-12(11)9-18)16-5-3-10(4-6-16)19-8-7-17/h1-2,10,17-18H,3-9H2
InChIKeyMJIHXDZPPIEIRW-UHFFFAOYSA-N
XLogP1.21
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 62943778
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 104925064
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228582
2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691197
2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695712
2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 82691470
[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol
CID 61256440
[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol
CID 61419845
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303
2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82693070
3-chloro-2-(chloromethyl)-6-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63972353

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol (CID 82691588) is 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol is OCCOC1CCN(c2ccc(Cl)c(CO)n2)CC1.
What is the InChIKey of 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol?
The InChIKey is MJIHXDZPPIEIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c14-11-1-2-13(15-12(11)9-18)16-5-3-10(4-6-16)19-8-7-17/h1-2,10,17-18H,3-9H2.
What are the key properties of 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol?
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol has a molecular weight of 286.76 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).