3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine

C14H22N4 — CID 110271257

IUPAC3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine
SMILESc1cc(N2CCCC2)nnc1CC1CCCNC1
InChIInChI=1S/C14H22N4/c1-2-9-18(8-1)14-6-5-13(16-17-14)10-12-4-3-7-15-11-12/h5-6,12,15H,1-4,7-11H2
InChIKeyBNNKVDXATGVJEY-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.62
Rot. Bonds3

About 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine

3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine (PubChem CID 110271257) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine
PubChem CID110271257
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine
SMILESc1cc(N2CCCC2)nnc1CC1CCCNC1
InChIInChI=1S/C14H22N4/c1-2-9-18(8-1)14-6-5-13(16-17-14)10-12-4-3-7-15-11-12/h5-6,12,15H,1-4,7-11H2
InChIKeyBNNKVDXATGVJEY-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pcs1055
CID 10894911
[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10067904
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969
N'-benzyl-N'-methyl-N-(6-phenylpyridazin-3-yl)pentane-1,5-diamine
CID 10713570
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-methyl-6-phenylpyridazin-3-amine
CID 11058147
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-isopropyl-6-phenylpyridazin-3-amine
CID 11825837
(1S,4S)-2-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462088
N,N-Dimethyl-N''-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine
CID 6410805
N,N-Diethyl-N''-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine
CID 6410807
N-(2-(1-benzylpiperidin-4-yl)ethyl)-5-ethyl-6-phenylpyridazin-3-amine
CID 10982261
N-(2-(1-benzylpiperidin-4-yl)ethyl)-6-phenyl-5-propylpyridazin-3-amine
CID 11080189
[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethyl]-(5-methyl-6-phenyl-pyridazin-3-yl)-amine
CID 11723664

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine (CID 110271257) is 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine is c1cc(N2CCCC2)nnc1CC1CCCNC1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine?
The InChIKey is BNNKVDXATGVJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-9-18(8-1)14-6-5-13(16-17-14)10-12-4-3-7-15-11-12/h5-6,12,15H,1-4,7-11H2.
What are the key properties of 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine?
3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine has a molecular weight of 246.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 110271257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).