iodomethane;1-[(E)-2-phenylethenyl]piperidine

C14H20IN — CID 20839071

IUPACiodomethane;1-[(E)-2-phenylethenyl]piperidine
SMILESC(=C/N1CCCCC1)\c1ccccc1.CI
InChIInChI=1S/C13H17N.CH3I/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;1-2/h1,3-4,7-9,12H,2,5-6,10-11H2;1H3/b12-9+;
InChIKeyVRMZLSAHJLWHCO-NBYYMMLRSA-N
MW329.22 g/mol
LogP4.19
Rot. Bonds2

About iodomethane;1-[(E)-2-phenylethenyl]piperidine

iodomethane;1-[(E)-2-phenylethenyl]piperidine (PubChem CID 20839071) has the molecular formula C14H20IN and a molecular weight of 329.22 g/mol. Its IUPAC name is iodomethane;1-[(E)-2-phenylethenyl]piperidine.

Molecular Properties

Compound Nameiodomethane;1-[(E)-2-phenylethenyl]piperidine
PubChem CID20839071
Molecular FormulaC14H20IN
Molecular Weight329.22 g/mol
Exact Mass329.06
IUPAC Nameiodomethane;1-[(E)-2-phenylethenyl]piperidine
SMILESC(=C/N1CCCCC1)\c1ccccc1.CI
InChIInChI=1S/C13H17N.CH3I/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;1-2/h1,3-4,7-9,12H,2,5-6,10-11H2;1H3/b12-9+;
InChIKeyVRMZLSAHJLWHCO-NBYYMMLRSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodomethane;1-[(E)-2-phenylethenyl]piperidine?
The IUPAC name of iodomethane;1-[(E)-2-phenylethenyl]piperidine (CID 20839071) is iodomethane;1-[(E)-2-phenylethenyl]piperidine.
What is the SMILES notation for iodomethane;1-[(E)-2-phenylethenyl]piperidine?
The canonical SMILES for iodomethane;1-[(E)-2-phenylethenyl]piperidine is C(=C/N1CCCCC1)\c1ccccc1.CI.
What is the InChIKey of iodomethane;1-[(E)-2-phenylethenyl]piperidine?
The InChIKey is VRMZLSAHJLWHCO-NBYYMMLRSA-N. The full InChI is InChI=1S/C13H17N.CH3I/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;1-2/h1,3-4,7-9,12H,2,5-6,10-11H2;1H3/b12-9+;.
What are the key properties of iodomethane;1-[(E)-2-phenylethenyl]piperidine?
iodomethane;1-[(E)-2-phenylethenyl]piperidine has a molecular weight of 329.22 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;1-[(E)-2-phenylethenyl]piperidine is sourced from PubChem (CID 20839071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).