[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol

C14H23N3O — CID 73440666

IUPAC[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)c1ncc(CN2CCCC(CO)C2)cn1
InChIInChI=1S/C14H23N3O/c1-11(2)14-15-6-13(7-16-14)9-17-5-3-4-12(8-17)10-18/h6-7,11-12,18H,3-5,8-10H2,1-2H3
InChIKeyFNGFLGZHJBZYIT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds4

About [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol

[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol (PubChem CID 73440666) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
PubChem CID73440666
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)c1ncc(CN2CCCC(CO)C2)cn1
InChIInChI=1S/C14H23N3O/c1-11(2)14-15-6-13(7-16-14)9-17-5-3-4-12(8-17)10-18/h6-7,11-12,18H,3-5,8-10H2,1-2H3
InChIKeyFNGFLGZHJBZYIT-UHFFFAOYSA-N
XLogP1.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol (CID 73440666) is [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol is CC(C)c1ncc(CN2CCCC(CO)C2)cn1.
What is the InChIKey of [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is FNGFLGZHJBZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)14-15-6-13(7-16-14)9-17-5-3-4-12(8-17)10-18/h6-7,11-12,18H,3-5,8-10H2,1-2H3.
What are the key properties of [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol?
[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 73440666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).