1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol

C19H33N3O — CID 133397917

IUPAC1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C19H33N3O/c1-13(23)14-9-8-10-22(12-14)16-11-15(18(2,3)4)20-17(21-16)19(5,6)7/h11,13-14,23H,8-10,12H2,1-7H3
InChIKeyJBELDQRZZPJHBQ-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.67
Rot. Bonds2

About 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol

1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 133397917) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID133397917
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1
InChIInChI=1S/C19H33N3O/c1-13(23)14-9-8-10-22(12-14)16-11-15(18(2,3)4)20-17(21-16)19(5,6)7/h11,13-14,23H,8-10,12H2,1-7H3
InChIKeyJBELDQRZZPJHBQ-UHFFFAOYSA-N
XLogP3.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384520
1-[1-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 133397942
1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836980
2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine
CID 133383773
1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 86797293
cyclopropyl-[4-(2,6-ditert-butylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499066
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
CID 133368138
1-(1-pyrimidin-2-ylpiperidin-3-yl)ethanol
CID 133397978
1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
CID 133397643
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
3,5-difluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397699

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol (CID 133397917) is 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol is CC(O)C1CCCN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1.
What is the InChIKey of 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is JBELDQRZZPJHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-13(23)14-9-8-10-22(12-14)16-11-15(18(2,3)4)20-17(21-16)19(5,6)7/h11,13-14,23H,8-10,12H2,1-7H3.
What are the key properties of 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol?
1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 319.49 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 133397917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).