2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride

C14H29Cl2N3O2 — CID 119897533

IUPAC2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCNCC(C)C(=O)N1CCN(CC2CCOC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-12(9-15-2)14(18)17-6-4-16(5-7-17)10-13-3-8-19-11-13;;/h12-13,15H,3-11H2,1-2H3;2*1H
InChIKeyUSBFNSSUIVHOJH-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.87
Rot. Bonds5

About 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride

2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119897533) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119897533
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCNCC(C)C(=O)N1CCN(CC2CCOC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-12(9-15-2)14(18)17-6-4-16(5-7-17)10-13-3-8-19-11-13;;/h12-13,15H,3-11H2,1-2H3;2*1H
InChIKeyUSBFNSSUIVHOJH-UHFFFAOYSA-N
XLogP0.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride with MolForge

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119886551
(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119897523
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119851917
2-methyl-3-(methylamino)-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 79201986
3-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119897543
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
2-methyl-3-(methylamino)-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 119894722
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518
1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202628
(2S)-2-amino-4-methyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119886581
2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900
4-(oxolan-3-ylmethyl)piperazine-1-carbodithioic acid
CID 155294676

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119897533) is 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride is CNCC(C)C(=O)N1CCN(CC2CCOC2)CC1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is USBFNSSUIVHOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-12(9-15-2)14(18)17-6-4-16(5-7-17)10-13-3-8-19-11-13;;/h12-13,15H,3-11H2,1-2H3;2*1H.
What are the key properties of 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride?
2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119897533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).