3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine

C18H23N3 — CID 64953194

IUPAC3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ccc(CN2CCNC(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H23N3/c1-15-7-8-17(12-20-15)13-21-10-9-19-18(14-21)11-16-5-3-2-4-6-16/h2-8,12,18-19H,9-11,13-14H2,1H3
InChIKeyRSFNCIDRDWZFJH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.41
Rot. Bonds4

About 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine

3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 64953194) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
PubChem CID64953194
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ccc(CN2CCNC(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H23N3/c1-15-7-8-17(12-20-15)13-21-10-9-19-18(14-21)11-16-5-3-2-4-6-16/h2-8,12,18-19H,9-11,13-14H2,1H3
InChIKeyRSFNCIDRDWZFJH-UHFFFAOYSA-N
XLogP2.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine (CID 64953194) is 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine is Cc1ccc(CN2CCNC(Cc3ccccc3)C2)cn1.
What is the InChIKey of 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is RSFNCIDRDWZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15-7-8-17(12-20-15)13-21-10-9-19-18(14-21)11-16-5-3-2-4-6-16/h2-8,12,18-19H,9-11,13-14H2,1H3.
What are the key properties of 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine?
3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 281.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 64953194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).