2-chloroethenylbenzene;2,6-dimethylpiperidine

C15H22ClN — CID 174658735

IUPAC2-chloroethenylbenzene;2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1.ClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl.C7H15N/c9-7-6-8-4-2-1-3-5-8;1-6-4-3-5-7(2)8-6/h1-7H;6-8H,3-5H2,1-2H3
InChIKeyCMAAYVKEQKOCDJ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.43
Rot. Bonds1

About 2-chloroethenylbenzene;2,6-dimethylpiperidine

2-chloroethenylbenzene;2,6-dimethylpiperidine (PubChem CID 174658735) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-chloroethenylbenzene;2,6-dimethylpiperidine.

Molecular Properties

Compound Name2-chloroethenylbenzene;2,6-dimethylpiperidine
PubChem CID174658735
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-chloroethenylbenzene;2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1.ClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl.C7H15N/c9-7-6-8-4-2-1-3-5-8;1-6-4-3-5-7(2)8-6/h1-7H;6-8H,3-5H2,1-2H3
InChIKeyCMAAYVKEQKOCDJ-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethenylbenzene;2,6-dimethylpiperidine?
The IUPAC name of 2-chloroethenylbenzene;2,6-dimethylpiperidine (CID 174658735) is 2-chloroethenylbenzene;2,6-dimethylpiperidine.
What is the SMILES notation for 2-chloroethenylbenzene;2,6-dimethylpiperidine?
The canonical SMILES for 2-chloroethenylbenzene;2,6-dimethylpiperidine is CC1CCCC(C)N1.ClC=Cc1ccccc1.
What is the InChIKey of 2-chloroethenylbenzene;2,6-dimethylpiperidine?
The InChIKey is CMAAYVKEQKOCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl.C7H15N/c9-7-6-8-4-2-1-3-5-8;1-6-4-3-5-7(2)8-6/h1-7H;6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloroethenylbenzene;2,6-dimethylpiperidine?
2-chloroethenylbenzene;2,6-dimethylpiperidine has a molecular weight of 251.80 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethenylbenzene;2,6-dimethylpiperidine is sourced from PubChem (CID 174658735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).