1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine

C13H22N4O — CID 114268775

IUPAC1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN2CCC(N)C(C)(C)C2)nn1
InChIInChI=1S/C13H22N4O/c1-13(2)9-17(7-6-11(13)14)8-10-4-5-12(18-3)16-15-10/h4-5,11H,6-9,14H2,1-3H3
InChIKeyPKCJQGOVVHVRCQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.04
Rot. Bonds3

About 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 114268775) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID114268775
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN2CCC(N)C(C)(C)C2)nn1
InChIInChI=1S/C13H22N4O/c1-13(2)9-17(7-6-11(13)14)8-10-4-5-12(18-3)16-15-10/h4-5,11H,6-9,14H2,1-3H3
InChIKeyPKCJQGOVVHVRCQ-UHFFFAOYSA-N
XLogP1.04
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 114268902
1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782108
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 120774118
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
3,3-dimethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781991
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774498
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781390
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
CID 120781423

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine (CID 114268775) is 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine is COc1ccc(CN2CCC(N)C(C)(C)C2)nn1.
What is the InChIKey of 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is PKCJQGOVVHVRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2)9-17(7-6-11(13)14)8-10-4-5-12(18-3)16-15-10/h4-5,11H,6-9,14H2,1-3H3.
What are the key properties of 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114268775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).