N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine

C14H24N4 — CID 63853871

IUPACN-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C14H24N4/c1-4-15-12(3)13-6-5-9-18(10-13)14-16-8-7-11(2)17-14/h7-8,12-13,15H,4-6,9-10H2,1-3H3
InChIKeyPXLVGCKMZOVIHB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine

N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine (PubChem CID 63853871) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine
PubChem CID63853871
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(c2nccc(C)n2)C1
InChIInChI=1S/C14H24N4/c1-4-15-12(3)13-6-5-9-18(10-13)14-16-8-7-11(2)17-14/h7-8,12-13,15H,4-6,9-10H2,1-3H3
InChIKeyPXLVGCKMZOVIHB-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine (CID 63853871) is N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(c2nccc(C)n2)C1.
What is the InChIKey of N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine?
The InChIKey is PXLVGCKMZOVIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-15-12(3)13-6-5-9-18(10-13)14-16-8-7-11(2)17-14/h7-8,12-13,15H,4-6,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine?
N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63853871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).