2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride

C18H21ClN2O2 — CID 175722107

IUPAC2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride
SMILESCC1(c2ccccn2)Oc2cccc(C3CCNCC3)c2O1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-18(16-7-2-3-10-20-16)21-15-6-4-5-14(17(15)22-18)13-8-11-19-12-9-13;/h2-7,10,13,19H,8-9,11-12H2,1H3;1H
InChIKeyMVWRBKRYPCPWSO-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.61
Rot. Bonds2

About 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride

2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride (PubChem CID 175722107) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride
PubChem CID175722107
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride
SMILESCC1(c2ccccn2)Oc2cccc(C3CCNCC3)c2O1.Cl
InChIInChI=1S/C18H20N2O2.ClH/c1-18(16-7-2-3-10-20-16)21-15-6-4-5-14(17(15)22-18)13-8-11-19-12-9-13;/h2-7,10,13,19H,8-9,11-12H2,1H3;1H
InChIKeyMVWRBKRYPCPWSO-UHFFFAOYSA-N
XLogP3.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride?
The IUPAC name of 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride (CID 175722107) is 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride.
What is the SMILES notation for 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride?
The canonical SMILES for 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride is CC1(c2ccccn2)Oc2cccc(C3CCNCC3)c2O1.Cl.
What is the InChIKey of 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride?
The InChIKey is MVWRBKRYPCPWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c1-18(16-7-2-3-10-20-16)21-15-6-4-5-14(17(15)22-18)13-8-11-19-12-9-13;/h2-7,10,13,19H,8-9,11-12H2,1H3;1H.
What are the key properties of 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride?
2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-piperidin-4-yl-1,3-benzodioxol-2-yl)pyridine;hydrochloride is sourced from PubChem (CID 175722107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).