4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride

C11H14ClN — CID 2723860

IUPAC4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(c2ccccc2)CCNC1.Cl
InChIInChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H
InChIKeyPOGWXTJNUCZEPR-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.49
Rot. Bonds1

About 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride

4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 2723860) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID2723860
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(c2ccccc2)CCNC1.Cl
InChIInChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H
InChIKeyPOGWXTJNUCZEPR-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride (CID 2723860) is 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride is C1=C(c2ccccc2)CCNC1.Cl.
What is the InChIKey of 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is POGWXTJNUCZEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-6,12H,7-9H2;1H.
What are the key properties of 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride?
4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 2723860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).