3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

C15H30ClN3O — CID 120981416

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCC1(C)CCN(CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-3-15(2)5-10-17(11-6-15)9-4-14(19)18-12-7-16-8-13-18;/h16H,3-13H2,1-2H3;1H
InChIKeyXVMFHHNLJQAYHP-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.74
Rot. Bonds4

About 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride

3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981416) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981416
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCC1(C)CCN(CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-3-15(2)5-10-17(11-6-15)9-4-14(19)18-12-7-16-8-13-18;/h16H,3-13H2,1-2H3;1H
InChIKeyXVMFHHNLJQAYHP-UHFFFAOYSA-N
XLogP1.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981754
3-(3-methyl-3-propylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981801
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
1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane
CID 63161230
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-piperazin-1-ylpropan-1-one
CID 120981963
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63608644
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981416) is 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is CCC1(C)CCN(CCC(=O)N2CCNCC2)CC1.Cl.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is XVMFHHNLJQAYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-3-15(2)5-10-17(11-6-15)9-4-14(19)18-12-7-16-8-13-18;/h16H,3-13H2,1-2H3;1H.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).