N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine

C20H28N4O2 — CID 119127441

IUPACN-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCOCCCOc1cccc(CNC2CCCN(c3cccnn3)C2)c1
InChIInChI=1S/C20H28N4O2/c1-25-12-5-13-26-19-8-2-6-17(14-19)15-21-18-7-4-11-24(16-18)20-9-3-10-22-23-20/h2-3,6,8-10,14,18,21H,4-5,7,11-13,15-16H2,1H3
InChIKeyPYXWXHGMTDCWAF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.65
Rot. Bonds9

About N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 119127441) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID119127441
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCOCCCOc1cccc(CNC2CCCN(c3cccnn3)C2)c1
InChIInChI=1S/C20H28N4O2/c1-25-12-5-13-26-19-8-2-6-17(14-19)15-21-18-7-4-11-24(16-18)20-9-3-10-22-23-20/h2-3,6,8-10,14,18,21H,4-5,7,11-13,15-16H2,1H3
InChIKeyPYXWXHGMTDCWAF-UHFFFAOYSA-N
XLogP2.65
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383
1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119127379
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95322953
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127354
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545138
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
N-[(4-methoxy-3-nitrophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119124011
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(3S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95336987

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 119127441) is N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine is COCCCOc1cccc(CNC2CCCN(c3cccnn3)C2)c1.
What is the InChIKey of N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is PYXWXHGMTDCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-25-12-5-13-26-19-8-2-6-17(14-19)15-21-18-7-4-11-24(16-18)20-9-3-10-22-23-20/h2-3,6,8-10,14,18,21H,4-5,7,11-13,15-16H2,1H3.
What are the key properties of N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 356.47 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 119127441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).