[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol

C17H29N3O — CID 62086536

IUPAC[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N2CCC(C(C)(C)C)CC2)c(CO)n1
InChIInChI=1S/C17H29N3O/c1-12(2)16-18-10-15(14(11-21)19-16)20-8-6-13(7-9-20)17(3,4)5/h10,12-13,21H,6-9,11H2,1-5H3
InChIKeyRKHIGXNQGLOCIH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.35
Rot. Bonds3

About [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol

[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62086536) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62086536
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N2CCC(C(C)(C)C)CC2)c(CO)n1
InChIInChI=1S/C17H29N3O/c1-12(2)16-18-10-15(14(11-21)19-16)20-8-6-13(7-9-20)17(3,4)5/h10,12-13,21H,6-9,11H2,1-5H3
InChIKeyRKHIGXNQGLOCIH-UHFFFAOYSA-N
XLogP3.35
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62086536) is [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(N2CCC(C(C)(C)C)CC2)c(CO)n1.
What is the InChIKey of [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is RKHIGXNQGLOCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)16-18-10-15(14(11-21)19-16)20-8-6-13(7-9-20)17(3,4)5/h10,12-13,21H,6-9,11H2,1-5H3.
What are the key properties of [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62086536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).