1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine

C12H25N3 — CID 116928178

IUPAC1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
SMILESCN1CCCC(CC2CN(C)CCN2)C1
InChIInChI=1S/C12H25N3/c1-14-6-3-4-11(9-14)8-12-10-15(2)7-5-13-12/h11-13H,3-10H2,1-2H3
InChIKeyZGYNFGVNUSQAPJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds2

About 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine

1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine (PubChem CID 116928178) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
PubChem CID116928178
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine
SMILESCN1CCCC(CC2CN(C)CCN2)C1
InChIInChI=1S/C12H25N3/c1-14-6-3-4-11(9-14)8-12-10-15(2)7-5-13-12/h11-13H,3-10H2,1-2H3
InChIKeyZGYNFGVNUSQAPJ-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpiperidin-3-yl)methyl]piperazine
CID 116825350
1-methyl-N-[(4-methylpiperazin-2-yl)methyl]piperidin-3-amine
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(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
2-cyclohexyl-N-methyl-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238803
N-methyl-2-(1-methylpiperidin-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209441
3-ethyl-1-methyl-1,4-diazepane;dihydrochloride
CID 91647799
methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
CID 130404511
N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538653
N-(cyclohexylmethyl)-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178322
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208430
1-methyl-3-prop-2-enylpiperazine
CID 23395683

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine?
The IUPAC name of 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine (CID 116928178) is 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine is CN1CCCC(CC2CN(C)CCN2)C1.
What is the InChIKey of 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine?
The InChIKey is ZGYNFGVNUSQAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-6-3-4-11(9-14)8-12-10-15(2)7-5-13-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine?
1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpiperidin-3-yl)methyl]piperazine is sourced from PubChem (CID 116928178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).