1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline

C23H28N4 — CID 143520888

IUPAC1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline
SMILESCc1ccc(N2CCCCC2)cc1.Cc1nccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C12H17N.C11H11N3/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h5-8H,2-4,9-10H2,1H3;2-7H,12H2,1H3
InChIKeyLOUXEQWYLMTXNJ-UHFFFAOYSA-N
MW360.51 g/mol
LogP5.02
Rot. Bonds2

About 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline

1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline (PubChem CID 143520888) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline.

Molecular Properties

Compound Name1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline
PubChem CID143520888
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline
SMILESCc1ccc(N2CCCCC2)cc1.Cc1nccc(-c2ccc(N)cc2)n1
InChIInChI=1S/C12H17N.C11H11N3/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h5-8H,2-4,9-10H2,1H3;2-7H,12H2,1H3
InChIKeyLOUXEQWYLMTXNJ-UHFFFAOYSA-N
XLogP5.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
1-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethanamine
CID 82021930
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
1-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethanamine;hydrochloride
CID 82021929
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline?
The IUPAC name of 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline (CID 143520888) is 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline.
What is the SMILES notation for 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline?
The canonical SMILES for 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline is Cc1ccc(N2CCCCC2)cc1.Cc1nccc(-c2ccc(N)cc2)n1.
What is the InChIKey of 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline?
The InChIKey is LOUXEQWYLMTXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C11H11N3/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h5-8H,2-4,9-10H2,1H3;2-7H,12H2,1H3.
What are the key properties of 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline?
1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline has a molecular weight of 360.51 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline is sourced from PubChem (CID 143520888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).