3-[4-(chloromethyl)piperidin-1-yl]pyridazine

C10H14ClN3 — CID 63390374

IUPAC3-[4-(chloromethyl)piperidin-1-yl]pyridazine
SMILESClCC1CCN(c2cccnn2)CC1
InChIInChI=1S/C10H14ClN3/c11-8-9-3-6-14(7-4-9)10-2-1-5-12-13-10/h1-2,5,9H,3-4,6-8H2
InChIKeyIYFAQCRZUIFBOL-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.93
Rot. Bonds2

About 3-[4-(chloromethyl)piperidin-1-yl]pyridazine

3-[4-(chloromethyl)piperidin-1-yl]pyridazine (PubChem CID 63390374) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 3-[4-(chloromethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(chloromethyl)piperidin-1-yl]pyridazine
PubChem CID63390374
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name3-[4-(chloromethyl)piperidin-1-yl]pyridazine
SMILESClCC1CCN(c2cccnn2)CC1
InChIInChI=1S/C10H14ClN3/c11-8-9-3-6-14(7-4-9)10-2-1-5-12-13-10/h1-2,5,9H,3-4,6-8H2
InChIKeyIYFAQCRZUIFBOL-UHFFFAOYSA-N
XLogP1.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-[4-(chloromethyl)piperidin-1-yl]pyridazine (CID 63390374) is 3-[4-(chloromethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(chloromethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(chloromethyl)piperidin-1-yl]pyridazine is ClCC1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-[4-(chloromethyl)piperidin-1-yl]pyridazine?
The InChIKey is IYFAQCRZUIFBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-8-9-3-6-14(7-4-9)10-2-1-5-12-13-10/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 3-[4-(chloromethyl)piperidin-1-yl]pyridazine?
3-[4-(chloromethyl)piperidin-1-yl]pyridazine has a molecular weight of 211.70 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 63390374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).