N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C20H26N4O2 — CID 119127354

IUPACN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESC=CCOc1ccc(CNC2CCCN(c3cccnn3)C2)cc1OC
InChIInChI=1S/C20H26N4O2/c1-3-12-26-18-9-8-16(13-19(18)25-2)14-21-17-6-5-11-24(15-17)20-7-4-10-22-23-20/h3-4,7-10,13,17,21H,1,5-6,11-12,14-15H2,2H3
InChIKeyARNNKZMUKCGRCV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.81
Rot. Bonds8

About N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 119127354) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID119127354
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESC=CCOc1ccc(CNC2CCCN(c3cccnn3)C2)cc1OC
InChIInChI=1S/C20H26N4O2/c1-3-12-26-18-9-8-16(13-19(18)25-2)14-21-17-6-5-11-24(15-17)20-7-4-10-22-23-20/h3-4,7-10,13,17,21H,1,5-6,11-12,14-15H2,2H3
InChIKeyARNNKZMUKCGRCV-UHFFFAOYSA-N
XLogP2.81
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-nitrophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119124011
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
(3S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95336987
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545138
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127441
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127367
N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 119127354) is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is C=CCOc1ccc(CNC2CCCN(c3cccnn3)C2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is ARNNKZMUKCGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-12-26-18-9-8-16(13-19(18)25-2)14-21-17-6-5-11-24(15-17)20-7-4-10-22-23-20/h3-4,7-10,13,17,21H,1,5-6,11-12,14-15H2,2H3.
What are the key properties of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 354.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 119127354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).