N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine

C13H22N4 — CID 63206358

IUPACN-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C13H22N4/c1-3-14-10-12-4-6-17(7-5-12)13-15-8-11(2)9-16-13/h8-9,12,14H,3-7,10H2,1-2H3
InChIKeyRTJRVWWMBSYPNA-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.61
Rot. Bonds4

About N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine

N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 63206358) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID63206358
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2ncc(C)cn2)CC1
InChIInChI=1S/C13H22N4/c1-3-14-10-12-4-6-17(7-5-12)13-15-8-11(2)9-16-13/h8-9,12,14H,3-7,10H2,1-2H3
InChIKeyRTJRVWWMBSYPNA-UHFFFAOYSA-N
XLogP1.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine (CID 63206358) is N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2ncc(C)cn2)CC1.
What is the InChIKey of N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is RTJRVWWMBSYPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-14-10-12-4-6-17(7-5-12)13-15-8-11(2)9-16-13/h8-9,12,14H,3-7,10H2,1-2H3.
What are the key properties of N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 63206358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).