3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine

C13H20ClN3O — CID 97164075

IUPAC3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
SMILESClc1ccc(COCCC[C@@H]2CCCNC2)nn1
InChIInChI=1S/C13H20ClN3O/c14-13-6-5-12(16-17-13)10-18-8-2-4-11-3-1-7-15-9-11/h5-6,11,15H,1-4,7-10H2/t11-/m0/s1
InChIKeyRGQLZCZXQFXRSE-NSHDSACASA-N
MW269.78 g/mol
LogP2.43
Rot. Bonds6

About 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine

3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine (PubChem CID 97164075) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
PubChem CID97164075
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
SMILESClc1ccc(COCCC[C@@H]2CCCNC2)nn1
InChIInChI=1S/C13H20ClN3O/c14-13-6-5-12(16-17-13)10-18-8-2-4-11-3-1-7-15-9-11/h5-6,11,15H,1-4,7-10H2/t11-/m0/s1
InChIKeyRGQLZCZXQFXRSE-NSHDSACASA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6-[[(3R)-piperidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640792
3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride
CID 71639908
2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine
CID 97163874
2-chloro-4-[2-[(3S)-piperidin-3-yl]ethoxymethyl]pyrimidine
CID 97163935
3-methoxy-6-(piperidin-3-ylmethoxymethyl)pyridazine
CID 114268734
5-(6-chloropyridazin-3-yl)-2-(3-piperidin-3-ylpropoxy)benzonitrile
CID 87522675
3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
CID 117105313
4-chloro-6-[3-[(3S)-piperidin-3-yl]propoxy]pyrimidine
CID 97163560
4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine
CID 97163561
3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine
CID 71640803
tert-butyl (3R)-3-[3-[(6-chloropyridazin-3-yl)methoxy]propyl]piperidine-1-carboxylate
CID 97172108
3-chloro-6-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640794

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine?
The IUPAC name of 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine (CID 97164075) is 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine?
The canonical SMILES for 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine is Clc1ccc(COCCC[C@@H]2CCCNC2)nn1.
What is the InChIKey of 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine?
The InChIKey is RGQLZCZXQFXRSE-NSHDSACASA-N. The full InChI is InChI=1S/C13H20ClN3O/c14-13-6-5-12(16-17-13)10-18-8-2-4-11-3-1-7-15-9-11/h5-6,11,15H,1-4,7-10H2/t11-/m0/s1.
What are the key properties of 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine?
3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine has a molecular weight of 269.78 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine is sourced from PubChem (CID 97164075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).