2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine

C17H19N3 — CID 42641303

IUPAC2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine
SMILESC(=C/c1nccc(N2CCCCC2)n1)\c1ccccc1
InChIInChI=1S/C17H19N3/c1-3-7-15(8-4-1)9-10-16-18-12-11-17(19-16)20-13-5-2-6-14-20/h1,3-4,7-12H,2,5-6,13-14H2/b10-9+
InChIKeyVAMVUOQXYSGGJK-MDZDMXLPSA-N
MW265.36 g/mol
LogP3.64
Rot. Bonds3

About 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine

2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine (PubChem CID 42641303) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine
PubChem CID42641303
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine
SMILESC(=C/c1nccc(N2CCCCC2)n1)\c1ccccc1
InChIInChI=1S/C17H19N3/c1-3-7-15(8-4-1)9-10-16-18-12-11-17(19-16)20-13-5-2-6-14-20/h1,3-4,7-12H,2,5-6,13-14H2/b10-9+
InChIKeyVAMVUOQXYSGGJK-MDZDMXLPSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 42641419
(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 42641532
4-[(1E,3Z)-4-phenylbuta-1,3-dienyl]-2-piperidin-1-ylpyrimidine
CID 56737804
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-[(1E,3Z)-4-phenylbuta-1,3-dienyl]-2-pyrrolidin-1-ylpyrimidine
CID 56737810
N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884516
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
4-piperidin-1-ylpyrimidine-2-carbonitrile
CID 130587546
N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885
2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 154883204

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine?
The IUPAC name of 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine (CID 42641303) is 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine is C(=C/c1nccc(N2CCCCC2)n1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine?
The InChIKey is VAMVUOQXYSGGJK-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-7-15(8-4-1)9-10-16-18-12-11-17(19-16)20-13-5-2-6-14-20/h1,3-4,7-12H,2,5-6,13-14H2/b10-9+.
What are the key properties of 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine?
2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine has a molecular weight of 265.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine is sourced from PubChem (CID 42641303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).