1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine

C16H20N4O — CID 62697897

IUPAC1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccccc2OCc2ncccn2)CC1
InChIInChI=1S/C16H20N4O/c17-13-6-10-20(11-7-13)14-4-1-2-5-15(14)21-12-16-18-8-3-9-19-16/h1-5,8-9,13H,6-7,10-12,17H2
InChIKeyULIZSZUSHGEECB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine

1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine (PubChem CID 62697897) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine
PubChem CID62697897
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccccc2OCc2ncccn2)CC1
InChIInChI=1S/C16H20N4O/c17-13-6-10-20(11-7-13)14-4-1-2-5-15(14)21-12-16-18-8-3-9-19-16/h1-5,8-9,13H,6-7,10-12,17H2
InChIKeyULIZSZUSHGEECB-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

Analyze 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine (CID 62697897) is 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine is NC1CCN(c2ccccc2OCc2ncccn2)CC1.
What is the InChIKey of 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine?
The InChIKey is ULIZSZUSHGEECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-13-6-10-20(11-7-13)14-4-1-2-5-15(14)21-12-16-18-8-3-9-19-16/h1-5,8-9,13H,6-7,10-12,17H2.
What are the key properties of 1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine?
1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-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-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 62697897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).