3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride

C14H29Cl2N3O2 — CID 119875389

IUPAC3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)CC(=O)N1CCCCC1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-12(15)10-14(18)17-5-3-2-4-13(17)11-16-6-8-19-9-7-16;;/h12-13H,2-11,15H2,1H3;2*1H
InChIKeyGMHKNVMNKPLQGJ-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.28
Rot. Bonds4

About 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride

3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119875389) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
PubChem CID119875389
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
SMILESCC(N)CC(=O)N1CCCCC1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-12(15)10-14(18)17-5-3-2-4-13(17)11-16-6-8-19-9-7-16;;/h12-13H,2-11,15H2,1H3;2*1H
InChIKeyGMHKNVMNKPLQGJ-UHFFFAOYSA-N
XLogP1.28
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503674
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119802212
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 119860015
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119860004
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 95621430
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride (CID 119875389) is 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride is CC(N)CC(=O)N1CCCCC1CN1CCOCC1.Cl.Cl.
What is the InChIKey of 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is GMHKNVMNKPLQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-12(15)10-14(18)17-5-3-2-4-13(17)11-16-6-8-19-9-7-16;;/h12-13H,2-11,15H2,1H3;2*1H.
What are the key properties of 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride?
3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119875389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).