2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol

C15H24ClN3O — CID 107228400

IUPAC2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCC(C)(C)c1nc(Cl)cc(N2CCCC(CCO)C2)n1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)14-17-12(16)9-13(18-14)19-7-4-5-11(10-19)6-8-20/h9,11,20H,4-8,10H2,1-3H3
InChIKeyRVUURYNXKLWOKR-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.03
Rot. Bonds3

About 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol

2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 107228400) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID107228400
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCC(C)(C)c1nc(Cl)cc(N2CCCC(CCO)C2)n1
InChIInChI=1S/C15H24ClN3O/c1-15(2,3)14-17-12(16)9-13(18-14)19-7-4-5-11(10-19)6-8-20/h9,11,20H,4-8,10H2,1-3H3
InChIKeyRVUURYNXKLWOKR-UHFFFAOYSA-N
XLogP3.03
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80950779
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963119
2-[1-[4-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228576
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 103761496
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228582
2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114799174
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
CID 80953701
2-tert-butyl-4-chloro-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidine
CID 114539092

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol (CID 107228400) is 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol is CC(C)(C)c1nc(Cl)cc(N2CCCC(CCO)C2)n1.
What is the InChIKey of 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is RVUURYNXKLWOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-15(2,3)14-17-12(16)9-13(18-14)19-7-4-5-11(10-19)6-8-20/h9,11,20H,4-8,10H2,1-3H3.
What are the key properties of 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 297.83 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107228400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).