(E)-2-phenyl-2-piperidin-1-ylethenediazonium

C13H16N3+ — CID 134983730

IUPAC(E)-2-phenyl-2-piperidin-1-ylethenediazonium
SMILESN#[N+]/C=C(\c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H16N3/c14-15-11-13(12-7-3-1-4-8-12)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2/q+1/b13-11+
InChIKeyBEQKKOWUSNHAFS-ACCUITESSA-N
MW214.29 g/mol
LogP3.32
Rot. Bonds2

About (E)-2-phenyl-2-piperidin-1-ylethenediazonium

(E)-2-phenyl-2-piperidin-1-ylethenediazonium (PubChem CID 134983730) has the molecular formula C13H16N3+ and a molecular weight of 214.29 g/mol. Its IUPAC name is (E)-2-phenyl-2-piperidin-1-ylethenediazonium.

Molecular Properties

Compound Name(E)-2-phenyl-2-piperidin-1-ylethenediazonium
PubChem CID134983730
Molecular FormulaC13H16N3+
Molecular Weight214.29 g/mol
Exact Mass214.13
IUPAC Name(E)-2-phenyl-2-piperidin-1-ylethenediazonium
SMILESN#[N+]/C=C(\c1ccccc1)N1CCCCC1
InChIInChI=1S/C13H16N3/c14-15-11-13(12-7-3-1-4-8-12)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2/q+1/b13-11+
InChIKeyBEQKKOWUSNHAFS-ACCUITESSA-N
XLogP3.32
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
CID 6377486
(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
1-[(Z)-2-(2-methylphenyl)-1-phenylethenyl]pyrrolidine
CID 135078220
1-[(E)-2-(2-methylphenyl)-1-phenylethenyl]pyrrolidine
CID 101409440
tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane
CID 177445819
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
(Z)-2-hydroxy-2-phenylethenediazonium
CID 5325582
phenyl(pyrrolidin-1-yl)methaneselone
CID 11149100
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
2-fluoro-1-methyl-6-[(Z)-2-phenyl-2-pyrrolidin-1-ylethenyl]pyridin-1-ium
CID 15447222
methyl formate;phenyl(pyrrolidin-1-yl)methanone
CID 145150279

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-2-piperidin-1-ylethenediazonium?
The IUPAC name of (E)-2-phenyl-2-piperidin-1-ylethenediazonium (CID 134983730) is (E)-2-phenyl-2-piperidin-1-ylethenediazonium.
What is the SMILES notation for (E)-2-phenyl-2-piperidin-1-ylethenediazonium?
The canonical SMILES for (E)-2-phenyl-2-piperidin-1-ylethenediazonium is N#[N+]/C=C(\c1ccccc1)N1CCCCC1.
What is the InChIKey of (E)-2-phenyl-2-piperidin-1-ylethenediazonium?
The InChIKey is BEQKKOWUSNHAFS-ACCUITESSA-N. The full InChI is InChI=1S/C13H16N3/c14-15-11-13(12-7-3-1-4-8-12)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2/q+1/b13-11+.
What are the key properties of (E)-2-phenyl-2-piperidin-1-ylethenediazonium?
(E)-2-phenyl-2-piperidin-1-ylethenediazonium has a molecular weight of 214.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-2-piperidin-1-ylethenediazonium is sourced from PubChem (CID 134983730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).