4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride

C15H18ClNO2 — CID 70657429

IUPAC4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(C2=COC(Cc3ccccc3)O2)CCNC1.Cl
InChIInChI=1S/C15H17NO2.ClH/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13;/h1-6,11,15-16H,7-10H2;1H
InChIKeyXJEYOVWSPQPNRV-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.78
Rot. Bonds3

About 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride

4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 70657429) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID70657429
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(C2=COC(Cc3ccccc3)O2)CCNC1.Cl
InChIInChI=1S/C15H17NO2.ClH/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13;/h1-6,11,15-16H,7-10H2;1H
InChIKeyXJEYOVWSPQPNRV-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 70657429) is 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride is C1=C(C2=COC(Cc3ccccc3)O2)CCNC1.Cl.
What is the InChIKey of 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is XJEYOVWSPQPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.ClH/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13;/h1-6,11,15-16H,7-10H2;1H.
What are the key properties of 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-1,3-dioxol-4-yl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 70657429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).