2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine

C18H23N3 — CID 120906410

IUPAC2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
SMILESCC1CN(Cc2cccc(-c3ccncc3)c2)C(C)CN1
InChIInChI=1S/C18H23N3/c1-14-12-21(15(2)11-20-14)13-16-4-3-5-18(10-16)17-6-8-19-9-7-17/h3-10,14-15,20H,11-13H2,1-2H3
InChIKeyNSBBSJZAIJSOAL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.93
Rot. Bonds3

About 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine

2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine (PubChem CID 120906410) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
PubChem CID120906410
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
SMILESCC1CN(Cc2cccc(-c3ccncc3)c2)C(C)CN1
InChIInChI=1S/C18H23N3/c1-14-12-21(15(2)11-20-14)13-16-4-3-5-18(10-16)17-6-8-19-9-7-17/h3-10,14-15,20H,11-13H2,1-2H3
InChIKeyNSBBSJZAIJSOAL-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine (CID 120906410) is 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine is CC1CN(Cc2cccc(-c3ccncc3)c2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine?
The InChIKey is NSBBSJZAIJSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-12-21(15(2)11-20-14)13-16-4-3-5-18(10-16)17-6-8-19-9-7-17/h3-10,14-15,20H,11-13H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine?
2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine has a molecular weight of 281.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine is sourced from PubChem (CID 120906410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).