[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone

C14H27N3O2 — CID 124592660

IUPAC[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
SMILESCCN1CCO[C@H](C(=O)N2CCC[C@H](C)[C@@H]2CN)C1
InChIInChI=1S/C14H27N3O2/c1-3-16-7-8-19-13(10-16)14(18)17-6-4-5-11(2)12(17)9-15/h11-13H,3-10,15H2,1-2H3/t11-,12-,13-/m0/s1
InChIKeyVVCCSTXKOBZSOW-AVGNSLFASA-N
MW269.39 g/mol
LogP0.29
Rot. Bonds3

About [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone (PubChem CID 124592660) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone.

Molecular Properties

Compound Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
PubChem CID124592660
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
SMILESCCN1CCO[C@H](C(=O)N2CCC[C@H](C)[C@@H]2CN)C1
InChIInChI=1S/C14H27N3O2/c1-3-16-7-8-19-13(10-16)14(18)17-6-4-5-11(2)12(17)9-15/h11-13H,3-10,15H2,1-2H3/t11-,12-,13-/m0/s1
InChIKeyVVCCSTXKOBZSOW-AVGNSLFASA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone (CID 124592660) is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone.
What is the SMILES notation for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The canonical SMILES for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone is CCN1CCO[C@H](C(=O)N2CCC[C@H](C)[C@@H]2CN)C1.
What is the InChIKey of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The InChIKey is VVCCSTXKOBZSOW-AVGNSLFASA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-16-7-8-19-13(10-16)14(18)17-6-4-5-11(2)12(17)9-15/h11-13H,3-10,15H2,1-2H3/t11-,12-,13-/m0/s1.
What are the key properties of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone has a molecular weight of 269.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone is sourced from PubChem (CID 124592660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).