N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine

C17H19ClN4O2 — CID 155502909

IUPACN-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine
SMILESClc1cc2c(cc1CNC1CCN(c3cccnn3)CC1)OCO2
InChIInChI=1S/C17H19ClN4O2/c18-14-9-16-15(23-11-24-16)8-12(14)10-19-13-3-6-22(7-4-13)17-2-1-5-20-21-17/h1-2,5,8-9,13,19H,3-4,6-7,10-11H2
InChIKeyFSDIGESQBUBMEG-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.62
Rot. Bonds4

About N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine

N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine (PubChem CID 155502909) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine
PubChem CID155502909
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine
SMILESClc1cc2c(cc1CNC1CCN(c3cccnn3)CC1)OCO2
InChIInChI=1S/C17H19ClN4O2/c18-14-9-16-15(23-11-24-16)8-12(14)10-19-13-3-6-22(7-4-13)17-2-1-5-20-21-17/h1-2,5,8-9,13,19H,3-4,6-7,10-11H2
InChIKeyFSDIGESQBUBMEG-UHFFFAOYSA-N
XLogP2.62
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[[(1-pyridazin-3-ylpiperidin-4-yl)amino]methyl]quinolin-2-one
CID 146145187
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119125297
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
(3S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95336987
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine?
The IUPAC name of N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine (CID 155502909) is N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine.
What is the SMILES notation for N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine?
The canonical SMILES for N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine is Clc1cc2c(cc1CNC1CCN(c3cccnn3)CC1)OCO2.
What is the InChIKey of N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine?
The InChIKey is FSDIGESQBUBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-9-16-15(23-11-24-16)8-12(14)10-19-13-3-6-22(7-4-13)17-2-1-5-20-21-17/h1-2,5,8-9,13,19H,3-4,6-7,10-11H2.
What are the key properties of N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine?
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine has a molecular weight of 346.82 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-4-amine is sourced from PubChem (CID 155502909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).