4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine

C15H16BrN3 — CID 116898873

IUPAC4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine
SMILESBrc1ccccc1-c1ccnc(C2CCCCN2)n1
InChIInChI=1S/C15H16BrN3/c16-12-6-2-1-5-11(12)13-8-10-18-15(19-13)14-7-3-4-9-17-14/h1-2,5-6,8,10,14,17H,3-4,7,9H2
InChIKeyAPSORDYSECMIBX-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.72
Rot. Bonds2

About 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine

4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine (PubChem CID 116898873) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine
PubChem CID116898873
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine
SMILESBrc1ccccc1-c1ccnc(C2CCCCN2)n1
InChIInChI=1S/C15H16BrN3/c16-12-6-2-1-5-11(12)13-8-10-18-15(19-13)14-7-3-4-9-17-14/h1-2,5-6,8,10,14,17H,3-4,7,9H2
InChIKeyAPSORDYSECMIBX-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898799
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
4-(3-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898794
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 84715620
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
2-(2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]pyridine
CID 95846428
2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride
CID 171195423
3-piperidin-2-ylisoquinoline
CID 84782420
3-(azepan-2-yl)-5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazole
CID 114560805
4-(2-bromophenyl)-N-methylpyrimidin-2-amine
CID 63548579

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine?
The IUPAC name of 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine (CID 116898873) is 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine.
What is the SMILES notation for 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine?
The canonical SMILES for 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine is Brc1ccccc1-c1ccnc(C2CCCCN2)n1.
What is the InChIKey of 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine?
The InChIKey is APSORDYSECMIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c16-12-6-2-1-5-11(12)13-8-10-18-15(19-13)14-7-3-4-9-17-14/h1-2,5-6,8,10,14,17H,3-4,7,9H2.
What are the key properties of 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine?
4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine has a molecular weight of 318.22 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-piperidin-2-ylpyrimidine is sourced from PubChem (CID 116898873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).