(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

C19H24N4O2 — CID 95334841

IUPAC(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(Cc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H24N4O2/c1-22(13-15-6-7-17-18(12-15)25-11-10-24-17)16-4-3-9-23(14-16)19-5-2-8-20-21-19/h2,5-8,12,16H,3-4,9-11,13-14H2,1H3/t16-/m1/s1
InChIKeyYKAMLNOFXQZNDF-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.35
Rot. Bonds4

About (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95334841) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95334841
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(Cc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H24N4O2/c1-22(13-15-6-7-17-18(12-15)25-11-10-24-17)16-4-3-9-23(14-16)19-5-2-8-20-21-19/h2,5-8,12,16H,3-4,9-11,13-14H2,1H3/t16-/m1/s1
InChIKeyYKAMLNOFXQZNDF-MRXNPFEDSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine with MolForge

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Related Compounds

(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95334844
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778274
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600328
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95342541
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 56778134
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119949
N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778147
(3R)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95334723
(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95336321
(3R)-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95600043
(3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124625483
(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95600027

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (CID 95334841) is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is CN(Cc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is YKAMLNOFXQZNDF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(13-15-6-7-17-18(12-15)25-11-10-24-17)16-4-3-9-23(14-16)19-5-2-8-20-21-19/h2,5-8,12,16H,3-4,9-11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 340.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95334841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).