4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine

C16H19N3 — CID 51371027

IUPAC4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
SMILESCc1ccc(-c2ccnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N3/c1-13-5-7-14(8-6-13)15-9-10-17-16(18-15)19-11-3-2-4-12-19/h5-10H,2-4,11-12H2,1H3
InChIKeyZJSMQVBWYYXUPZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.44
Rot. Bonds2

About 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine

4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine (PubChem CID 51371027) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
PubChem CID51371027
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
SMILESCc1ccc(-c2ccnc(N3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N3/c1-13-5-7-14(8-6-13)15-9-10-17-16(18-15)19-11-3-2-4-12-19/h5-10H,2-4,11-12H2,1H3
InChIKeyZJSMQVBWYYXUPZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine (CID 51371027) is 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine is Cc1ccc(-c2ccnc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine?
The InChIKey is ZJSMQVBWYYXUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-13-5-7-14(8-6-13)15-9-10-17-16(18-15)19-11-3-2-4-12-19/h5-10H,2-4,11-12H2,1H3.
What are the key properties of 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine?
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine has a molecular weight of 253.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 51371027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).