1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine

C17H21N3 — CID 91090154

IUPAC1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine
SMILESCc1ncc(-c2ccccc2)c(C)c1N1CCNCC1
InChIInChI=1S/C17H21N3/c1-13-16(15-6-4-3-5-7-15)12-19-14(2)17(13)20-10-8-18-9-11-20/h3-7,12,18H,8-11H2,1-2H3
InChIKeyOVTLTKINVZSYBX-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.78
Rot. Bonds2

About 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine

1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine (PubChem CID 91090154) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine
PubChem CID91090154
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine
SMILESCc1ncc(-c2ccccc2)c(C)c1N1CCNCC1
InChIInChI=1S/C17H21N3/c1-13-16(15-6-4-3-5-7-15)12-19-14(2)17(13)20-10-8-18-9-11-20/h3-7,12,18H,8-11H2,1-2H3
InChIKeyOVTLTKINVZSYBX-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine?
The IUPAC name of 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine (CID 91090154) is 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine.
What is the SMILES notation for 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine?
The canonical SMILES for 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine is Cc1ncc(-c2ccccc2)c(C)c1N1CCNCC1.
What is the InChIKey of 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine?
The InChIKey is OVTLTKINVZSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-16(15-6-4-3-5-7-15)12-19-14(2)17(13)20-10-8-18-9-11-20/h3-7,12,18H,8-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine?
1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine has a molecular weight of 267.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-5-phenyl-3-pyridinyl)piperazine is sourced from PubChem (CID 91090154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).