1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol

C15H24BrN3O — CID 106836980

IUPAC1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(Br)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H24BrN3O/c1-10(20)11-5-7-19(8-6-11)13-9-12(16)17-14(18-13)15(2,3)4/h9-11,20H,5-8H2,1-4H3
InChIKeyGYSIKVJDYUPNTH-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.13
Rot. Bonds2

About 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol

1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol (PubChem CID 106836980) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
PubChem CID106836980
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(Br)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H24BrN3O/c1-10(20)11-5-7-19(8-6-11)13-9-12(16)17-14(18-13)15(2,3)4/h9-11,20H,5-8H2,1-4H3
InChIKeyGYSIKVJDYUPNTH-UHFFFAOYSA-N
XLogP3.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 114082384
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133397917
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784178
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745055
(4aR,8aR)-1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727553
1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839962
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]ethanol
CID 71871118
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891514
2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 80961329

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol (CID 106836980) is 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2cc(Br)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is GYSIKVJDYUPNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-10(20)11-5-7-19(8-6-11)13-9-12(16)17-14(18-13)15(2,3)4/h9-11,20H,5-8H2,1-4H3.
What are the key properties of 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol?
1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 342.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106836980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).