[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine

C11H17ClN4 — CID 71644496

IUPAC[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4/c12-11-5-4-9(14-15-11)8-16-6-2-1-3-10(16)7-13/h4-5,10H,1-3,6-8,13H2
InChIKeyFMXLYVWYDXLEOW-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.44
Rot. Bonds3

About [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine

[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 71644496) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
PubChem CID71644496
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4/c12-11-5-4-9(14-15-11)8-16-6-2-1-3-10(16)7-13/h4-5,10H,1-3,6-8,13H2
InChIKeyFMXLYVWYDXLEOW-UHFFFAOYSA-N
XLogP1.44
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
tert-butyl N-[[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methyl]carbamate
CID 97174292
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106139
[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 95719321
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311630
[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115527317

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine (CID 71644496) is [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1ccc(Cl)nn1.
What is the InChIKey of [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is FMXLYVWYDXLEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c12-11-5-4-9(14-15-11)8-16-6-2-1-3-10(16)7-13/h4-5,10H,1-3,6-8,13H2.
What are the key properties of [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine?
[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 240.74 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 71644496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).