[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride

C17H27Cl2N3O2 — CID 120938012

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCc1ccccc1N1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13-5-3-4-6-15(13)19-8-10-20(11-9-19)17(21)16-14(2)22-12-7-18-16;;/h3-6,14,16,18H,7-12H2,1-2H3;2*1H/t14-,16+;;/m1../s1
InChIKeySYKCLJPRVKNBRZ-WUTOMRCLSA-N
MW376.33 g/mol
LogP1.86
Rot. Bonds2

About [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride

[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120938012) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID120938012
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCc1ccccc1N1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13-5-3-4-6-15(13)19-8-10-20(11-9-19)17(21)16-14(2)22-12-7-18-16;;/h3-6,14,16,18H,7-12H2,1-2H3;2*1H/t14-,16+;;/m1../s1
InChIKeySYKCLJPRVKNBRZ-WUTOMRCLSA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938057
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 120924844
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120941290
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942147
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120939440
[4-(3-methylanilino)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942286
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120938823
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939908

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride (CID 120938012) is [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride is Cc1ccccc1N1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.Cl.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is SYKCLJPRVKNBRZ-WUTOMRCLSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c1-13-5-3-4-6-15(13)19-8-10-20(11-9-19)17(21)16-14(2)22-12-7-18-16;;/h3-6,14,16,18H,7-12H2,1-2H3;2*1H/t14-,16+;;/m1../s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride?
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120938012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).