5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine

C13H19ClN2 — CID 81237792

IUPAC5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine
SMILESCc1cc(N2CCC(C)CC2)c(CCl)cn1
InChIInChI=1S/C13H19ClN2/c1-10-3-5-16(6-4-10)13-7-11(2)15-9-12(13)8-14/h7,9-10H,3-6,8H2,1-2H3
InChIKeyDSFBNXSPEOWQET-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.37
Rot. Bonds2

About 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine

5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine (PubChem CID 81237792) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine
PubChem CID81237792
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine
SMILESCc1cc(N2CCC(C)CC2)c(CCl)cn1
InChIInChI=1S/C13H19ClN2/c1-10-3-5-16(6-4-10)13-7-11(2)15-9-12(13)8-14/h7,9-10H,3-6,8H2,1-2H3
InChIKeyDSFBNXSPEOWQET-UHFFFAOYSA-N
XLogP3.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.37
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 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine (CID 81237792) is 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine is Cc1cc(N2CCC(C)CC2)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine?
The InChIKey is DSFBNXSPEOWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-3-5-16(6-4-10)13-7-11(2)15-9-12(13)8-14/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine?
5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-4-(4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 81237792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).