(2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride

C13H25ClN2O2 — CID 120623489

IUPAC(2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCOC(C)(C)C2)CCN1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-10-8-11(4-5-14-10)12(16)15-6-7-17-13(2,3)9-15;/h10-11,14H,4-9H2,1-3H3;1H/t10-,11-;/m0./s1
InChIKeyZLDKLTFXRTVAAP-ACMTZBLWSA-N
MW276.81 g/mol
LogP1.43
Rot. Bonds1

About (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride

(2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride (PubChem CID 120623489) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
PubChem CID120623489
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCOC(C)(C)C2)CCN1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-10-8-11(4-5-14-10)12(16)15-6-7-17-13(2,3)9-15;/h10-11,14H,4-9H2,1-3H3;1H/t10-,11-;/m0./s1
InChIKeyZLDKLTFXRTVAAP-ACMTZBLWSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550019
N,3-dimethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxamide
CID 106318369
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634101
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
(2,2-dimethylmorpholin-4-yl)-morpholin-3-ylmethanone;hydrochloride
CID 119732358
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
3-ethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 106740017
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120637070

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride (CID 120623489) is (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride is C[C@H]1C[C@@H](C(=O)N2CCOC(C)(C)C2)CCN1.Cl.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The InChIKey is ZLDKLTFXRTVAAP-ACMTZBLWSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-10-8-11(4-5-14-10)12(16)15-6-7-17-13(2,3)9-15;/h10-11,14H,4-9H2,1-3H3;1H/t10-,11-;/m0./s1.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
(2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120623489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).