1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine

C19H23N3O2 — CID 163366717

IUPAC1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine
SMILESc1cc(CNCc2ccncc2N2CCCCC2)c2c(c1)OCO2
InChIInChI=1S/C19H23N3O2/c1-2-9-22(10-3-1)17-13-20-8-7-15(17)11-21-12-16-5-4-6-18-19(16)24-14-23-18/h4-8,13,21H,1-3,9-12,14H2
InChIKeyZPFFTDOQOCNJGX-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.09
Rot. Bonds5

About 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine

1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine (PubChem CID 163366717) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine
PubChem CID163366717
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine
SMILESc1cc(CNCc2ccncc2N2CCCCC2)c2c(c1)OCO2
InChIInChI=1S/C19H23N3O2/c1-2-9-22(10-3-1)17-13-20-8-7-15(17)11-21-12-16-5-4-6-18-19(16)24-14-23-18/h4-8,13,21H,1-3,9-12,14H2
InChIKeyZPFFTDOQOCNJGX-UHFFFAOYSA-N
XLogP3.09
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine (CID 163366717) is 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine is c1cc(CNCc2ccncc2N2CCCCC2)c2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine?
The InChIKey is ZPFFTDOQOCNJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-9-22(10-3-1)17-13-20-8-7-15(17)11-21-12-16-5-4-6-18-19(16)24-14-23-18/h4-8,13,21H,1-3,9-12,14H2.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine?
1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine has a molecular weight of 325.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N-[(3-piperidin-1-yl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 163366717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).