5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine

C17H26ClN3 — CID 81237461

IUPAC5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC(CN3CCCC3)CC2)c(CCl)cn1
InChIInChI=1S/C17H26ClN3/c1-14-10-17(16(11-18)12-19-14)21-8-4-15(5-9-21)13-20-6-2-3-7-20/h10,12,15H,2-9,11,13H2,1H3
InChIKeyGLPUNHOYDTXWPV-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.44
Rot. Bonds4

About 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine

5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine (PubChem CID 81237461) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
PubChem CID81237461
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC(CN3CCCC3)CC2)c(CCl)cn1
InChIInChI=1S/C17H26ClN3/c1-14-10-17(16(11-18)12-19-14)21-8-4-15(5-9-21)13-20-6-2-3-7-20/h10,12,15H,2-9,11,13H2,1H3
InChIKeyGLPUNHOYDTXWPV-UHFFFAOYSA-N
XLogP3.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.44
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 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The IUPAC name of 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine (CID 81237461) is 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine is Cc1cc(N2CCC(CN3CCCC3)CC2)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The InChIKey is GLPUNHOYDTXWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-14-10-17(16(11-18)12-19-14)21-8-4-15(5-9-21)13-20-6-2-3-7-20/h10,12,15H,2-9,11,13H2,1H3.
What are the key properties of 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine has a molecular weight of 307.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 81237461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).