1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine

C18H23N3 — CID 144901537

IUPAC1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine
SMILESCc1ccc(-c2ccc(N3CCN(C)CC3)c(C)c2)cn1
InChIInChI=1S/C18H23N3/c1-14-12-16(17-5-4-15(2)19-13-17)6-7-18(14)21-10-8-20(3)9-11-21/h4-7,12-13H,8-11H2,1-3H3
InChIKeyKKDULPFEZWSQCT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.12
Rot. Bonds2

About 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine

1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine (PubChem CID 144901537) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine
PubChem CID144901537
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine
SMILESCc1ccc(-c2ccc(N3CCN(C)CC3)c(C)c2)cn1
InChIInChI=1S/C18H23N3/c1-14-12-16(17-5-4-15(2)19-13-17)6-7-18(14)21-10-8-20(3)9-11-21/h4-7,12-13H,8-11H2,1-3H3
InChIKeyKKDULPFEZWSQCT-UHFFFAOYSA-N
XLogP3.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine (CID 144901537) is 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine is Cc1ccc(-c2ccc(N3CCN(C)CC3)c(C)c2)cn1.
What is the InChIKey of 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine?
The InChIKey is KKDULPFEZWSQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-12-16(17-5-4-15(2)19-13-17)6-7-18(14)21-10-8-20(3)9-11-21/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine?
1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine has a molecular weight of 281.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine is sourced from PubChem (CID 144901537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).