1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine

C16H20N4O — CID 62698272

IUPAC1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine
SMILESNC1CCCN(c2cccc(OCc3ncccn3)c2)C1
InChIInChI=1S/C16H20N4O/c17-13-4-2-9-20(11-13)14-5-1-6-15(10-14)21-12-16-18-7-3-8-19-16/h1,3,5-8,10,13H,2,4,9,11-12,17H2
InChIKeyGGBFNDABMLCDDB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.98
Rot. Bonds4

About 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine

1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine (PubChem CID 62698272) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine
PubChem CID62698272
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine
SMILESNC1CCCN(c2cccc(OCc3ncccn3)c2)C1
InChIInChI=1S/C16H20N4O/c17-13-4-2-9-20(11-13)14-5-1-6-15(10-14)21-12-16-18-7-3-8-19-16/h1,3,5-8,10,13H,2,4,9,11-12,17H2
InChIKeyGGBFNDABMLCDDB-UHFFFAOYSA-N
XLogP1.98
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine?
The IUPAC name of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine (CID 62698272) is 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine is NC1CCCN(c2cccc(OCc3ncccn3)c2)C1.
What is the InChIKey of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine?
The InChIKey is GGBFNDABMLCDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-13-4-2-9-20(11-13)14-5-1-6-15(10-14)21-12-16-18-7-3-8-19-16/h1,3,5-8,10,13H,2,4,9,11-12,17H2.
What are the key properties of 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine?
1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine has a molecular weight of 284.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrimidin-2-ylmethoxy)phenyl]piperidin-3-amine is sourced from PubChem (CID 62698272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).