1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride

C12H24ClN3O — CID 120897299

IUPAC1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-11(16)15-7-5-14(6-8-15)10-12(2)3-4-13-9-12;/h13H,3-10H2,1-2H3;1H
InChIKeyXFWJNFPTFLVQNC-UHFFFAOYSA-N
MW261.80 g/mol
LogP0.57
Rot. Bonds2

About 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride

1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120897299) has the molecular formula C12H24ClN3O and a molecular weight of 261.80 g/mol. Its IUPAC name is 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
PubChem CID120897299
Molecular FormulaC12H24ClN3O
Molecular Weight261.80 g/mol
Exact Mass261.16
IUPAC Name1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-11(16)15-7-5-14(6-8-15)10-12(2)3-4-13-9-12;/h13H,3-10H2,1-2H3;1H
InChIKeyXFWJNFPTFLVQNC-UHFFFAOYSA-N
XLogP0.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
CID 120898363
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
2-[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 120898244
1-(azepan-1-yl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120897835
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride
CID 120901243
1-(4-ethylpiperazin-1-yl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]ethanone
CID 120900089
N,N-diethyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide
CID 120897865
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120899942
N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898228
2-(4-bromophenoxy)-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120903359
N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120899912

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride (CID 120897299) is 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride is CC(=O)N1CCN(CC2(C)CCNC2)CC1.Cl.
What is the InChIKey of 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is XFWJNFPTFLVQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.ClH/c1-11(16)15-7-5-14(6-8-15)10-12(2)3-4-13-9-12;/h13H,3-10H2,1-2H3;1H.
What are the key properties of 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride?
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120897299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).