2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol

C11H17N3O2 — CID 133315289

IUPAC2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
SMILESOCCOC1CCCN(c2ncccn2)C1
InChIInChI=1S/C11H17N3O2/c15-7-8-16-10-3-1-6-14(9-10)11-12-4-2-5-13-11/h2,4-5,10,15H,1,3,6-9H2
InChIKeyOINAANIBKBHAFY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds4

About 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol

2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol (PubChem CID 133315289) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
PubChem CID133315289
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
SMILESOCCOC1CCCN(c2ncccn2)C1
InChIInChI=1S/C11H17N3O2/c15-7-8-16-10-3-1-6-14(9-10)11-12-4-2-5-13-11/h2,4-5,10,15H,1,3,6-9H2
InChIKeyOINAANIBKBHAFY-UHFFFAOYSA-N
XLogP0.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol
CID 133315227
2-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-7-yloxy)ethanol
CID 174244915
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]oxyethanol
CID 133315157
2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
CID 133315313
2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol
CID 133315310
2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
CID 75421713
2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
CID 133401937
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
CID 133315305
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol?
The IUPAC name of 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol (CID 133315289) is 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol.
What is the SMILES notation for 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol?
The canonical SMILES for 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol is OCCOC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol?
The InChIKey is OINAANIBKBHAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-7-8-16-10-3-1-6-14(9-10)11-12-4-2-5-13-11/h2,4-5,10,15H,1,3,6-9H2.
What are the key properties of 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol?
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol has a molecular weight of 223.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol is sourced from PubChem (CID 133315289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).