1-methyl-4-(2-piperidin-4-ylethyl)piperazine

C12H25N3 — CID 4778264

IUPAC1-methyl-4-(2-piperidin-4-ylethyl)piperazine
SMILESCN1CCN(CCC2CCNCC2)CC1
InChIInChI=1S/C12H25N3/c1-14-8-10-15(11-9-14)7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3
InChIKeyBREHWAOTQHCZJW-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds3

About 1-methyl-4-(2-piperidin-4-ylethyl)piperazine

1-methyl-4-(2-piperidin-4-ylethyl)piperazine (PubChem CID 4778264) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-4-(2-piperidin-4-ylethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-piperidin-4-ylethyl)piperazine
PubChem CID4778264
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-methyl-4-(2-piperidin-4-ylethyl)piperazine
SMILESCN1CCN(CCC2CCNCC2)CC1
InChIInChI=1S/C12H25N3/c1-14-8-10-15(11-9-14)7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3
InChIKeyBREHWAOTQHCZJW-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-piperidin-4-ylethyl)piperazine?
The IUPAC name of 1-methyl-4-(2-piperidin-4-ylethyl)piperazine (CID 4778264) is 1-methyl-4-(2-piperidin-4-ylethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-piperidin-4-ylethyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-piperidin-4-ylethyl)piperazine is CN1CCN(CCC2CCNCC2)CC1.
What is the InChIKey of 1-methyl-4-(2-piperidin-4-ylethyl)piperazine?
The InChIKey is BREHWAOTQHCZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-8-10-15(11-9-14)7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-methyl-4-(2-piperidin-4-ylethyl)piperazine?
1-methyl-4-(2-piperidin-4-ylethyl)piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-piperidin-4-ylethyl)piperazine is sourced from PubChem (CID 4778264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).