2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline

C16H20ClN3O — CID 82687916

IUPAC2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCC(OCCCl)CC1
InChIInChI=1S/C16H20ClN3O/c1-12-16(19-15-5-3-2-4-14(15)18-12)20-9-6-13(7-10-20)21-11-8-17/h2-5,13H,6-11H2,1H3
InChIKeyXIAREJLNMZZYMZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.16
Rot. Bonds4

About 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline

2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline (PubChem CID 82687916) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline
PubChem CID82687916
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCC(OCCCl)CC1
InChIInChI=1S/C16H20ClN3O/c1-12-16(19-15-5-3-2-4-14(15)18-12)20-9-6-13(7-10-20)21-11-8-17/h2-5,13H,6-11H2,1H3
InChIKeyXIAREJLNMZZYMZ-UHFFFAOYSA-N
XLogP3.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline?
The IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline (CID 82687916) is 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline.
What is the SMILES notation for 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline?
The canonical SMILES for 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CCC(OCCCl)CC1.
What is the InChIKey of 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline?
The InChIKey is XIAREJLNMZZYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12-16(19-15-5-3-2-4-14(15)18-12)20-9-6-13(7-10-20)21-11-8-17/h2-5,13H,6-11H2,1H3.
What are the key properties of 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline?
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline has a molecular weight of 305.81 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethoxy)piperidin-1-yl]-3-methylquinoxaline is sourced from PubChem (CID 82687916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).