1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine

C25H30N4 — CID 45248000

IUPAC1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine
SMILESCc1ccccc1-c1cccc(N2CCC(NC(C)Cc3cnccn3)CC2)c1
InChIInChI=1S/C25H30N4/c1-19-6-3-4-9-25(19)21-7-5-8-24(17-21)29-14-10-22(11-15-29)28-20(2)16-23-18-26-12-13-27-23/h3-9,12-13,17-18,20,22,28H,10-11,14-16H2,1-2H3
InChIKeyKQTOTZVZYDFRCT-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.64
Rot. Bonds6

About 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine

1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine (PubChem CID 45248000) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine
PubChem CID45248000
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine
SMILESCc1ccccc1-c1cccc(N2CCC(NC(C)Cc3cnccn3)CC2)c1
InChIInChI=1S/C25H30N4/c1-19-6-3-4-9-25(19)21-7-5-8-24(17-21)29-14-10-22(11-15-29)28-20(2)16-23-18-26-12-13-27-23/h3-9,12-13,17-18,20,22,28H,10-11,14-16H2,1-2H3
InChIKeyKQTOTZVZYDFRCT-UHFFFAOYSA-N
XLogP4.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 45213648
N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
CID 46993017
1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile
CID 46988681
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine
CID 30854411
1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one
CID 31161169
N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976754
N-pent-4-en-2-yl-1-phenylpiperidin-4-amine
CID 103902346
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 30876772
N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine
CID 103787492
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine
CID 30957466
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 31134379

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine (CID 45248000) is 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine is Cc1ccccc1-c1cccc(N2CCC(NC(C)Cc3cnccn3)CC2)c1.
What is the InChIKey of 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine?
The InChIKey is KQTOTZVZYDFRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-19-6-3-4-9-25(19)21-7-5-8-24(17-21)29-14-10-22(11-15-29)28-20(2)16-23-18-26-12-13-27-23/h3-9,12-13,17-18,20,22,28H,10-11,14-16H2,1-2H3.
What are the key properties of 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine?
1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine has a molecular weight of 386.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 45248000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).