1-methyl-4-(piperidin-3-ylmethyl)piperazine

C11H23N3 — CID 20668416

IUPAC1-methyl-4-(piperidin-3-ylmethyl)piperazine
SMILESCN1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C11H23N3/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11/h11-12H,2-10H2,1H3
InChIKeyKHESUUBSLVIEBH-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.23
Rot. Bonds2

About 1-methyl-4-(piperidin-3-ylmethyl)piperazine

1-methyl-4-(piperidin-3-ylmethyl)piperazine (PubChem CID 20668416) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-methyl-4-(piperidin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(piperidin-3-ylmethyl)piperazine
PubChem CID20668416
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-methyl-4-(piperidin-3-ylmethyl)piperazine
SMILESCN1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C11H23N3/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11/h11-12H,2-10H2,1H3
InChIKeyKHESUUBSLVIEBH-UHFFFAOYSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperidin-3-ylmethyl)piperazine?
The IUPAC name of 1-methyl-4-(piperidin-3-ylmethyl)piperazine (CID 20668416) is 1-methyl-4-(piperidin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(piperidin-3-ylmethyl)piperazine?
The canonical SMILES for 1-methyl-4-(piperidin-3-ylmethyl)piperazine is CN1CCN(CC2CCCNC2)CC1.
What is the InChIKey of 1-methyl-4-(piperidin-3-ylmethyl)piperazine?
The InChIKey is KHESUUBSLVIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13-5-7-14(8-6-13)10-11-3-2-4-12-9-11/h11-12H,2-10H2,1H3.
What are the key properties of 1-methyl-4-(piperidin-3-ylmethyl)piperazine?
1-methyl-4-(piperidin-3-ylmethyl)piperazine has a molecular weight of 197.33 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperidin-3-ylmethyl)piperazine is sourced from PubChem (CID 20668416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).