2-(3-piperidin-4-ylphenyl)pyrimidine

C15H17N3 — CID 91370651

IUPAC2-(3-piperidin-4-ylphenyl)pyrimidine
SMILESc1cnc(-c2cccc(C3CCNCC3)c2)nc1
InChIInChI=1S/C15H17N3/c1-3-13(12-5-9-16-10-6-12)11-14(4-1)15-17-7-2-8-18-15/h1-4,7-8,11-12,16H,5-6,9-10H2
InChIKeyUFGFIUKOGOFXTI-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.61
Rot. Bonds2

About 2-(3-piperidin-4-ylphenyl)pyrimidine

2-(3-piperidin-4-ylphenyl)pyrimidine (PubChem CID 91370651) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3-piperidin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-piperidin-4-ylphenyl)pyrimidine
PubChem CID91370651
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(3-piperidin-4-ylphenyl)pyrimidine
SMILESc1cnc(-c2cccc(C3CCNCC3)c2)nc1
InChIInChI=1S/C15H17N3/c1-3-13(12-5-9-16-10-6-12)11-14(4-1)15-17-7-2-8-18-15/h1-4,7-8,11-12,16H,5-6,9-10H2
InChIKeyUFGFIUKOGOFXTI-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
4-(3-phenylphenyl)piperidine
CID 54258001
6-(3-piperidin-4-ylphenyl)-N-pyridin-2-ylpyridin-2-amine
CID 66836931
5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine
CID 117360352
4-[3-(4-ethylphenyl)phenyl]piperidine
CID 129173744
4-(3-nitrosophenyl)piperidine
CID 142849133
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 79980623
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
CID 167994882
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56947353

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-ylphenyl)pyrimidine?
The IUPAC name of 2-(3-piperidin-4-ylphenyl)pyrimidine (CID 91370651) is 2-(3-piperidin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(3-piperidin-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-(3-piperidin-4-ylphenyl)pyrimidine is c1cnc(-c2cccc(C3CCNCC3)c2)nc1.
What is the InChIKey of 2-(3-piperidin-4-ylphenyl)pyrimidine?
The InChIKey is UFGFIUKOGOFXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-13(12-5-9-16-10-6-12)11-14(4-1)15-17-7-2-8-18-15/h1-4,7-8,11-12,16H,5-6,9-10H2.
What are the key properties of 2-(3-piperidin-4-ylphenyl)pyrimidine?
2-(3-piperidin-4-ylphenyl)pyrimidine has a molecular weight of 239.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 91370651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).