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

C20H27N3 — CID 90364267

IUPAC1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
SMILESCc1nc(C(C)C)ccc1-c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N3/c1-15(2)20-9-8-19(16(3)21-20)17-6-5-7-18(14-17)23-12-10-22(4)11-13-23/h5-9,14-15H,10-13H2,1-4H3
InChIKeyVJSMWJJMBSQMKO-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.93
Rot. Bonds3

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

1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine (PubChem CID 90364267) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
PubChem CID90364267
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
SMILESCc1nc(C(C)C)ccc1-c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N3/c1-15(2)20-9-8-19(16(3)21-20)17-6-5-7-18(14-17)23-12-10-22(4)11-13-23/h5-9,14-15H,10-13H2,1-4H3
InChIKeyVJSMWJJMBSQMKO-UHFFFAOYSA-N
XLogP3.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
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6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
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1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine (CID 90364267) is 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine is Cc1nc(C(C)C)ccc1-c1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine?
The InChIKey is VJSMWJJMBSQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-15(2)20-9-8-19(16(3)21-20)17-6-5-7-18(14-17)23-12-10-22(4)11-13-23/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine?
1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine has a molecular weight of 309.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine is sourced from PubChem (CID 90364267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).