2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol

C11H16ClN3O — CID 105370226

IUPAC2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ncncc2Cl)C1
InChIInChI=1S/C11H16ClN3O/c12-10-6-13-8-14-11(10)15-4-1-2-9(7-15)3-5-16/h6,8-9,16H,1-5,7H2
InChIKeyRZTASBACEXJTRB-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol

2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 105370226) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID105370226
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ncncc2Cl)C1
InChIInChI=1S/C11H16ClN3O/c12-10-6-13-8-14-11(10)15-4-1-2-9(7-15)3-5-16/h6,8-9,16H,1-5,7H2
InChIKeyRZTASBACEXJTRB-UHFFFAOYSA-N
XLogP1.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[3-(2-chloroethyl)pyrrolidin-1-yl]pyrimidine
CID 105370757
5-bromo-4-[3-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 66320965
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
CID 114072871
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
CID 157402306
2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802870
4-[3-(2-bromoethyl)piperidin-1-yl]-5-iodopyrimidine
CID 80679066
methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 105370413
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229347
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol (CID 105370226) is 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol is OCCC1CCCN(c2ncncc2Cl)C1.
What is the InChIKey of 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is RZTASBACEXJTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-6-13-8-14-11(10)15-4-1-2-9(7-15)3-5-16/h6,8-9,16H,1-5,7H2.
What are the key properties of 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 241.72 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 105370226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).