4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride

C12H14ClF2N — CID 66692482

IUPAC4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride
SMILESCl.Fc1ccc(F)c(C=C2CCNCC2)c1
InChIInChI=1S/C12H13F2N.ClH/c13-11-1-2-12(14)10(8-11)7-9-3-5-15-6-4-9;/h1-2,7-8,15H,3-6H2;1H
InChIKeyABRKVJLFFOOTTQ-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.15
Rot. Bonds1

About 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride

4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride (PubChem CID 66692482) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride
PubChem CID66692482
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride
SMILESCl.Fc1ccc(F)c(C=C2CCNCC2)c1
InChIInChI=1S/C12H13F2N.ClH/c13-11-1-2-12(14)10(8-11)7-9-3-5-15-6-4-9;/h1-2,7-8,15H,3-6H2;1H
InChIKeyABRKVJLFFOOTTQ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride?
The IUPAC name of 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride (CID 66692482) is 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride?
The canonical SMILES for 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride is Cl.Fc1ccc(F)c(C=C2CCNCC2)c1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride?
The InChIKey is ABRKVJLFFOOTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N.ClH/c13-11-1-2-12(14)10(8-11)7-9-3-5-15-6-4-9;/h1-2,7-8,15H,3-6H2;1H.
What are the key properties of 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride?
4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride has a molecular weight of 245.70 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methylidene]piperidine;hydrochloride is sourced from PubChem (CID 66692482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).