[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol

C14H23N3O — CID 75423664

IUPAC[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCC(C)(C)c1nccc(N2CCC(CO)CC2)n1
InChIInChI=1S/C14H23N3O/c1-14(2,3)13-15-7-4-12(16-13)17-8-5-11(10-18)6-9-17/h4,7,11,18H,5-6,8-10H2,1-3H3
InChIKeyNAPWDKXWOIEADJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.98
Rot. Bonds2

About [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol

[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 75423664) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID75423664
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCC(C)(C)c1nccc(N2CCC(CO)CC2)n1
InChIInChI=1S/C14H23N3O/c1-14(2,3)13-15-7-4-12(16-13)17-8-5-11(10-18)6-9-17/h4,7,11,18H,5-6,8-10H2,1-3H3
InChIKeyNAPWDKXWOIEADJ-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol (CID 75423664) is [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol is CC(C)(C)c1nccc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is NAPWDKXWOIEADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)13-15-7-4-12(16-13)17-8-5-11(10-18)6-9-17/h4,7,11,18H,5-6,8-10H2,1-3H3.
What are the key properties of [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol?
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 75423664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).