2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol

C16H20N4O — CID 136934488

IUPAC2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol
SMILESCc1ncc(N2CCC(N)CC2)c(-c2ccccc2O)n1
InChIInChI=1S/C16H20N4O/c1-11-18-10-14(20-8-6-12(17)7-9-20)16(19-11)13-4-2-3-5-15(13)21/h2-5,10,12,21H,6-9,17H2,1H3
InChIKeyINJBWXAVIMDQDI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.09
Rot. Bonds2

About 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol

2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol (PubChem CID 136934488) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol
PubChem CID136934488
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol
SMILESCc1ncc(N2CCC(N)CC2)c(-c2ccccc2O)n1
InChIInChI=1S/C16H20N4O/c1-11-18-10-14(20-8-6-12(17)7-9-20)16(19-11)13-4-2-3-5-15(13)21/h2-5,10,12,21H,6-9,17H2,1H3
InChIKeyINJBWXAVIMDQDI-UHFFFAOYSA-N
XLogP2.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol (CID 136934488) is 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol is Cc1ncc(N2CCC(N)CC2)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol?
The InChIKey is INJBWXAVIMDQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-18-10-14(20-8-6-12(17)7-9-20)16(19-11)13-4-2-3-5-15(13)21/h2-5,10,12,21H,6-9,17H2,1H3.
What are the key properties of 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol?
2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol has a molecular weight of 284.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminopiperidin-1-yl)-2-methylpyrimidin-4-yl]phenol is sourced from PubChem (CID 136934488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).