1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine

C23H48N6 — CID 142839730

IUPAC1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine
SMILESCN1CCN(CC2CCNCC2)CC1.CN1CCN(CCCN2CCCC2)CC1
InChIInChI=1S/C12H25N3.C11H23N3/c1-13-9-11-15(12-10-13)8-4-7-14-5-2-3-6-14;1-13-6-8-14(9-7-13)10-11-2-4-12-5-3-11/h2-12H2,1H3;11-12H,2-10H2,1H3
InChIKeyFTRZQFNEGZLZMR-UHFFFAOYSA-N
MW408.68 g/mol
LogP0.95
Rot. Bonds6

About 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine

1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine (PubChem CID 142839730) has the molecular formula C23H48N6 and a molecular weight of 408.68 g/mol. Its IUPAC name is 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine
PubChem CID142839730
Molecular FormulaC23H48N6
Molecular Weight408.68 g/mol
Exact Mass408.39
IUPAC Name1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine
SMILESCN1CCN(CC2CCNCC2)CC1.CN1CCN(CCCN2CCCC2)CC1
InChIInChI=1S/C12H25N3.C11H23N3/c1-13-9-11-15(12-10-13)8-4-7-14-5-2-3-6-14;1-13-6-8-14(9-7-13)10-11-2-4-12-5-3-11/h2-12H2,1H3;11-12H,2-10H2,1H3
InChIKeyFTRZQFNEGZLZMR-UHFFFAOYSA-N
XLogP0.95
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine?
The IUPAC name of 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine (CID 142839730) is 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine.
What is the SMILES notation for 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine?
The canonical SMILES for 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine is CN1CCN(CC2CCNCC2)CC1.CN1CCN(CCCN2CCCC2)CC1.
What is the InChIKey of 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine?
The InChIKey is FTRZQFNEGZLZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C11H23N3/c1-13-9-11-15(12-10-13)8-4-7-14-5-2-3-6-14;1-13-6-8-14(9-7-13)10-11-2-4-12-5-3-11/h2-12H2,1H3;11-12H,2-10H2,1H3.
What are the key properties of 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine?
1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine has a molecular weight of 408.68 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperidin-4-ylmethyl)piperazine;1-methyl-4-(3-pyrrolidin-1-ylpropyl)piperazine is sourced from PubChem (CID 142839730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).