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

C18H37Cl2N3O3 — CID 120597446

IUPAC4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
SMILESCOC(CN)CC(=O)N1CCC(CCN2CC(C)OC(C)C2)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O3.2ClH/c1-14-12-20(13-15(2)24-14)7-4-16-5-8-21(9-6-16)18(22)10-17(11-19)23-3;;/h14-17H,4-13,19H2,1-3H3;2*1H
InChIKeySYBRFRJOESWLAT-UHFFFAOYSA-N
MW414.42 g/mol
LogP1.93
Rot. Bonds7

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

4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride (PubChem CID 120597446) has the molecular formula C18H37Cl2N3O3 and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
PubChem CID120597446
Molecular FormulaC18H37Cl2N3O3
Molecular Weight414.42 g/mol
Exact Mass413.22
IUPAC Name4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
SMILESCOC(CN)CC(=O)N1CCC(CCN2CC(C)OC(C)C2)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O3.2ClH/c1-14-12-20(13-15(2)24-14)7-4-16-5-8-21(9-6-16)18(22)10-17(11-19)23-3;;/h14-17H,4-13,19H2,1-3H3;2*1H
InChIKeySYBRFRJOESWLAT-UHFFFAOYSA-N
XLogP1.93
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one
CID 103156842
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847
(2S)-2-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119899190
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
4-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596615
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
(2S)-1-[4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 99107255
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120591144
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride (CID 120597446) is 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride is COC(CN)CC(=O)N1CCC(CCN2CC(C)OC(C)C2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride?
The InChIKey is SYBRFRJOESWLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3.2ClH/c1-14-12-20(13-15(2)24-14)7-4-16-5-8-21(9-6-16)18(22)10-17(11-19)23-3;;/h14-17H,4-13,19H2,1-3H3;2*1H.
What are the key properties of 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride?
4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride has a molecular weight of 414.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride is sourced from PubChem (CID 120597446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).