3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

C17H36Cl2N4O — CID 120982442

IUPAC3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCN(CC)CC1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C17H34N4O.2ClH/c1-3-19(4-2)15-16-5-10-20(11-6-16)12-7-17(22)21-13-8-18-9-14-21;;/h16,18H,3-15H2,1-2H3;2*1H
InChIKeyWFMJMCDYGBCPMZ-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.71
Rot. Bonds7

About 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982442) has the molecular formula C17H36Cl2N4O and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982442
Molecular FormulaC17H36Cl2N4O
Molecular Weight383.41 g/mol
Exact Mass382.23
IUPAC Name3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCN(CC)CC1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C17H34N4O.2ClH/c1-3-19(4-2)15-16-5-10-20(11-6-16)12-7-17(22)21-13-8-18-9-14-21;;/h16,18H,3-15H2,1-2H3;2*1H
InChIKeyWFMJMCDYGBCPMZ-UHFFFAOYSA-N
XLogP1.71
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methoxymethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981559
3-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982909
3-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982915
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 60951540
3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981575
3-(4-ethylsulfonylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980697
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981416

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982442) is 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is CCN(CC)CC1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is WFMJMCDYGBCPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.2ClH/c1-3-19(4-2)15-16-5-10-20(11-6-16)12-7-17(22)21-13-8-18-9-14-21;;/h16,18H,3-15H2,1-2H3;2*1H.
What are the key properties of 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 383.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).