3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride

C17H35Cl2N3O2 — CID 120503447

IUPAC3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
SMILESCC1CN(CC2CCN(C(=O)C(C)C(C)N)CC2)CC(C)O1.Cl.Cl
InChIInChI=1S/C17H33N3O2.2ClH/c1-12-9-19(10-13(2)22-12)11-16-5-7-20(8-6-16)17(21)14(3)15(4)18;;/h12-16H,5-11,18H2,1-4H3;2*1H
InChIKeyGMJCAXWSHBOBQQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.16
Rot. Bonds4

About 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride

3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride (PubChem CID 120503447) has the molecular formula C17H35Cl2N3O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
PubChem CID120503447
Molecular FormulaC17H35Cl2N3O2
Molecular Weight384.39 g/mol
Exact Mass383.21
IUPAC Name3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
SMILESCC1CN(CC2CCN(C(=O)C(C)C(C)N)CC2)CC(C)O1.Cl.Cl
InChIInChI=1S/C17H33N3O2.2ClH/c1-12-9-19(10-13(2)22-12)11-16-5-7-20(8-6-16)17(21)14(3)15(4)18;;/h12-16H,5-11,18H2,1-4H3;2*1H
InChIKeyGMJCAXWSHBOBQQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride with MolForge

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Related Compounds

ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
CID 52870602
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
3-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502799
(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone
CID 119867461
(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119899190
[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119867516
3-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294891
2-amino-3-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119851877
3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294893
3-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
CID 95294892
(2S,6R)-4-[[1-[(2S)-butan-2-yl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 99810648
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95290672

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride (CID 120503447) is 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride is CC1CN(CC2CCN(C(=O)C(C)C(C)N)CC2)CC(C)O1.Cl.Cl.
What is the InChIKey of 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride?
The InChIKey is GMJCAXWSHBOBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.2ClH/c1-12-9-19(10-13(2)22-12)11-16-5-7-20(8-6-16)17(21)14(3)15(4)18;;/h12-16H,5-11,18H2,1-4H3;2*1H.
What are the key properties of 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride?
3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride has a molecular weight of 384.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride is sourced from PubChem (CID 120503447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).