1,2,3,4-tetrahydropyridine;hydrochloride

C5H10ClN — CID 18388400

IUPAC1,2,3,4-tetrahydropyridine;hydrochloride
SMILESC1=CNCCC1.Cl
InChIInChI=1S/C5H9N.ClH/c1-2-4-6-5-3-1;/h2,4,6H,1,3,5H2;1H
InChIKeyHAKSOKWVNPZVNM-UHFFFAOYSA-N
MW119.59 g/mol
LogP1.31
Rot. Bonds

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

1,2,3,4-tetrahydropyridine;hydrochloride (PubChem CID 18388400) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyridine;hydrochloride
PubChem CID18388400
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC Name1,2,3,4-tetrahydropyridine;hydrochloride
SMILESC1=CNCCC1.Cl
InChIInChI=1S/C5H9N.ClH/c1-2-4-6-5-3-1;/h2,4,6H,1,3,5H2;1H
InChIKeyHAKSOKWVNPZVNM-UHFFFAOYSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyridine;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydropyridine;hydrochloride (CID 18388400) is 1,2,3,4-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydropyridine;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydropyridine;hydrochloride is C1=CNCCC1.Cl.
What is the InChIKey of 1,2,3,4-tetrahydropyridine;hydrochloride?
The InChIKey is HAKSOKWVNPZVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.ClH/c1-2-4-6-5-3-1;/h2,4,6H,1,3,5H2;1H.
What are the key properties of 1,2,3,4-tetrahydropyridine;hydrochloride?
1,2,3,4-tetrahydropyridine;hydrochloride has a molecular weight of 119.59 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 18388400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).