2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline

C15H18ClN3 — CID 63392549

IUPAC2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCCC(CCl)C1
InChIInChI=1S/C15H18ClN3/c1-11-15(19-8-4-5-12(9-16)10-19)18-14-7-3-2-6-13(14)17-11/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyKMHCREMZYVAUJZ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.39
Rot. Bonds2

About 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline

2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline (PubChem CID 63392549) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
PubChem CID63392549
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCCC(CCl)C1
InChIInChI=1S/C15H18ClN3/c1-11-15(19-8-4-5-12(9-16)10-19)18-14-7-3-2-6-13(14)17-11/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyKMHCREMZYVAUJZ-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.39
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 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline?
The IUPAC name of 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline (CID 63392549) is 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline.
What is the SMILES notation for 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline?
The canonical SMILES for 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CCCC(CCl)C1.
What is the InChIKey of 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline?
The InChIKey is KMHCREMZYVAUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-15(19-8-4-5-12(9-16)10-19)18-14-7-3-2-6-13(14)17-11/h2-3,6-7,12H,4-5,8-10H2,1H3.
What are the key properties of 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline?
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline has a molecular weight of 275.78 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline is sourced from PubChem (CID 63392549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).