2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine

C15H31N3O — CID 115214528

IUPAC2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine
SMILESCN(CC1CCOCC1)CC1CCN(CCN)CC1
InChIInChI=1S/C15H31N3O/c1-17(13-15-4-10-19-11-5-15)12-14-2-7-18(8-3-14)9-6-16/h14-15H,2-13,16H2,1H3
InChIKeyUUUGZSAHWWNSOV-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.02
Rot. Bonds6

About 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine

2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine (PubChem CID 115214528) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine
PubChem CID115214528
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine
SMILESCN(CC1CCOCC1)CC1CCN(CCN)CC1
InChIInChI=1S/C15H31N3O/c1-17(13-15-4-10-19-11-5-15)12-14-2-7-18(8-3-14)9-6-16/h14-15H,2-13,16H2,1H3
InChIKeyUUUGZSAHWWNSOV-UHFFFAOYSA-N
XLogP1.02
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine (CID 115214528) is 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine is CN(CC1CCOCC1)CC1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine?
The InChIKey is UUUGZSAHWWNSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-17(13-15-4-10-19-11-5-15)12-14-2-7-18(8-3-14)9-6-16/h14-15H,2-13,16H2,1H3.
What are the key properties of 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine?
2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 115214528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).