3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine

C12H20N4 — CID 81460638

IUPAC3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
SMILESCCC1CN(Cc2ncccn2)CCC1N
InChIInChI=1S/C12H20N4/c1-2-10-8-16(7-4-11(10)13)9-12-14-5-3-6-15-12/h3,5-6,10-11H,2,4,7-9,13H2,1H3
InChIKeyPXBLGARFLWTGJC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.04
Rot. Bonds3

About 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine

3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine (PubChem CID 81460638) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
PubChem CID81460638
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
SMILESCCC1CN(Cc2ncccn2)CCC1N
InChIInChI=1S/C12H20N4/c1-2-10-8-16(7-4-11(10)13)9-12-14-5-3-6-15-12/h3,5-6,10-11H,2,4,7-9,13H2,1H3
InChIKeyPXBLGARFLWTGJC-UHFFFAOYSA-N
XLogP1.04
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine (CID 81460638) is 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine is CCC1CN(Cc2ncccn2)CCC1N.
What is the InChIKey of 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine?
The InChIKey is PXBLGARFLWTGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-10-8-16(7-4-11(10)13)9-12-14-5-3-6-15-12/h3,5-6,10-11H,2,4,7-9,13H2,1H3.
What are the key properties of 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine?
3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 81460638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).