2-(3-chloropiperidin-1-yl)-3-methylpyridine

C11H15ClN2 — CID 63392389

IUPAC2-(3-chloropiperidin-1-yl)-3-methylpyridine
SMILESCc1cccnc1N1CCCC(Cl)C1
InChIInChI=1S/C11H15ClN2/c1-9-4-2-6-13-11(9)14-7-3-5-10(12)8-14/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeyBVXGLELCHHYYJQ-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.60
Rot. Bonds1

About 2-(3-chloropiperidin-1-yl)-3-methylpyridine

2-(3-chloropiperidin-1-yl)-3-methylpyridine (PubChem CID 63392389) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-(3-chloropiperidin-1-yl)-3-methylpyridine.

Molecular Properties

Compound Name2-(3-chloropiperidin-1-yl)-3-methylpyridine
PubChem CID63392389
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-(3-chloropiperidin-1-yl)-3-methylpyridine
SMILESCc1cccnc1N1CCCC(Cl)C1
InChIInChI=1S/C11H15ClN2/c1-9-4-2-6-13-11(9)14-7-3-5-10(12)8-14/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeyBVXGLELCHHYYJQ-UHFFFAOYSA-N
XLogP2.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(3-chloropiperidin-1-yl)-3-methylpyridine?
The IUPAC name of 2-(3-chloropiperidin-1-yl)-3-methylpyridine (CID 63392389) is 2-(3-chloropiperidin-1-yl)-3-methylpyridine.
What is the SMILES notation for 2-(3-chloropiperidin-1-yl)-3-methylpyridine?
The canonical SMILES for 2-(3-chloropiperidin-1-yl)-3-methylpyridine is Cc1cccnc1N1CCCC(Cl)C1.
What is the InChIKey of 2-(3-chloropiperidin-1-yl)-3-methylpyridine?
The InChIKey is BVXGLELCHHYYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-9-4-2-6-13-11(9)14-7-3-5-10(12)8-14/h2,4,6,10H,3,5,7-8H2,1H3.
What are the key properties of 2-(3-chloropiperidin-1-yl)-3-methylpyridine?
2-(3-chloropiperidin-1-yl)-3-methylpyridine has a molecular weight of 210.71 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropiperidin-1-yl)-3-methylpyridine is sourced from PubChem (CID 63392389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).