[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone

C13H25N3O2 — CID 129414733

IUPAC[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
SMILESCCN1CCO[C@H](C(=O)N2CCCC[C@@H]2CN)C1
InChIInChI=1S/C13H25N3O2/c1-2-15-7-8-18-12(10-15)13(17)16-6-4-3-5-11(16)9-14/h11-12H,2-10,14H2,1H3/t11-,12+/m1/s1
InChIKeyYYLOIHDFBXUYLH-NEPJUHHUSA-N
MW255.36 g/mol
LogP0.05
Rot. Bonds3

About [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone

[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone (PubChem CID 129414733) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
PubChem CID129414733
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
SMILESCCN1CCO[C@H](C(=O)N2CCCC[C@@H]2CN)C1
InChIInChI=1S/C13H25N3O2/c1-2-15-7-8-18-12(10-15)13(17)16-6-4-3-5-11(16)9-14/h11-12H,2-10,14H2,1H3/t11-,12+/m1/s1
InChIKeyYYLOIHDFBXUYLH-NEPJUHHUSA-N
XLogP0.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 124779692
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 124592660
cycloheptyl-(4-ethylmorpholin-2-yl)methanone
CID 82931691
4-ethylmorpholine-2-carboxylate
CID 127053688
[3-(1-aminoethyl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone;dihydrochloride
CID 119595248
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
CID 79666840
[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 126790046
2-[[(2S)-2-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137097315
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856232

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone (CID 129414733) is [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone is CCN1CCO[C@H](C(=O)N2CCCC[C@@H]2CN)C1.
What is the InChIKey of [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
The InChIKey is YYLOIHDFBXUYLH-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-15-7-8-18-12(10-15)13(17)16-6-4-3-5-11(16)9-14/h11-12H,2-10,14H2,1H3/t11-,12+/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone?
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone is sourced from PubChem (CID 129414733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).