1-benzyl-4-(3-methyl-2-pyridinyl)piperazine

C17H21N3 — CID 130558033

IUPAC1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3/c1-15-6-5-9-18-17(15)20-12-10-19(11-13-20)14-16-7-3-2-4-8-16/h2-9H,10-14H2,1H3
InChIKeyAMCJKMJXPJJUSF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.71
Rot. Bonds3

About 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine

1-benzyl-4-(3-methyl-2-pyridinyl)piperazine (PubChem CID 130558033) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
PubChem CID130558033
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3/c1-15-6-5-9-18-17(15)20-12-10-19(11-13-20)14-16-7-3-2-4-8-16/h2-9H,10-14H2,1H3
InChIKeyAMCJKMJXPJJUSF-UHFFFAOYSA-N
XLogP2.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine (CID 130558033) is 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine is Cc1cccnc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine?
The InChIKey is AMCJKMJXPJJUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-15-6-5-9-18-17(15)20-12-10-19(11-13-20)14-16-7-3-2-4-8-16/h2-9H,10-14H2,1H3.
What are the key properties of 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine?
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine has a molecular weight of 267.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 130558033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).