(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

C19H24N4O2 — CID 95334844

IUPAC(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(Cc1cccc2c1OCCO2)[C@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H24N4O2/c1-22(13-15-5-2-7-17-19(15)25-12-11-24-17)16-6-4-10-23(14-16)18-8-3-9-20-21-18/h2-3,5,7-9,16H,4,6,10-14H2,1H3/t16-/m0/s1
InChIKeyRKPNDKOYUDVXFV-INIZCTEOSA-N
MW340.43 g/mol
LogP2.35
Rot. Bonds4

About (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95334844) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95334844
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(Cc1cccc2c1OCCO2)[C@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H24N4O2/c1-22(13-15-5-2-7-17-19(15)25-12-11-24-17)16-6-4-10-23(14-16)18-8-3-9-20-21-18/h2-3,5,7-9,16H,4,6,10-14H2,1H3/t16-/m0/s1
InChIKeyRKPNDKOYUDVXFV-INIZCTEOSA-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 (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine with MolForge

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Related Compounds

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95334841
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 56778134
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95342541
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-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124625483
(3R)-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95600043
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95979099
(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95600027
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95334988

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (CID 95334844) is (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is CN(Cc1cccc2c1OCCO2)[C@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is RKPNDKOYUDVXFV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(13-15-5-2-7-17-19(15)25-12-11-24-17)16-6-4-10-23(14-16)18-8-3-9-20-21-18/h2-3,5,7-9,16H,4,6,10-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-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 (3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95334844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).