1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

C14H24N4 — CID 54901970

IUPAC1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCc1nccc(CNC(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-11(13-5-8-18(3)9-6-13)16-10-14-4-7-15-12(2)17-14/h4,7,11,13,16H,5-6,8-10H2,1-3H3
InChIKeyJRFBHXAVXSVTRK-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.60
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 54901970) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
PubChem CID54901970
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCc1nccc(CNC(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-11(13-5-8-18(3)9-6-13)16-10-14-4-7-15-12(2)17-14/h4,7,11,13,16H,5-6,8-10H2,1-3H3
InChIKeyJRFBHXAVXSVTRK-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (CID 54901970) is 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is Cc1nccc(CNC(C)C2CCN(C)CC2)n1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is JRFBHXAVXSVTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(13-5-8-18(3)9-6-13)16-10-14-4-7-15-12(2)17-14/h4,7,11,13,16H,5-6,8-10H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 54901970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).