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

C14H27N3O2 — CID 124779692

IUPAC[(2S,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-XQQFMLRXSA-N
MW269.39 g/mol
LogP0.29
Rot. Bonds3

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

[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone (PubChem CID 124779692) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone.

Molecular Properties

Compound Name[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
PubChem CID124779692
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[(2S,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-XQQFMLRXSA-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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Related Compounds

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 124592660
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 129414733
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 102783553
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 119597339
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 124592788
4-ethylmorpholine-2-carboxylate
CID 127053688
[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
CID 119595248
[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone
CID 119260965
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(thian-4-yl)methanone
CID 125147034
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160741
cycloheptyl-(4-ethylmorpholin-2-yl)methanone
CID 82931691

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The IUPAC name of [(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone (CID 124779692) is [(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone.
What is the SMILES notation for [(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The canonical SMILES for [(2S,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 [(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The InChIKey is VVCCSTXKOBZSOW-XQQFMLRXSA-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 [(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
[(2S,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 [(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone is sourced from PubChem (CID 124779692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).