1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride

C17H25ClFN3 — CID 120856024

IUPAC1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride
SMILESCl.Fc1ccc2c(c1)N(CC1CCNCC1)CCN2C1CC1
InChIInChI=1S/C17H24FN3.ClH/c18-14-1-4-16-17(11-14)20(9-10-21(16)15-2-3-15)12-13-5-7-19-8-6-13;/h1,4,11,13,15,19H,2-3,5-10,12H2;1H
InChIKeyQDJBOPIXLOUDIM-UHFFFAOYSA-N
MW325.86 g/mol
LogP3.04
Rot. Bonds3

About 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride

1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride (PubChem CID 120856024) has the molecular formula C17H25ClFN3 and a molecular weight of 325.86 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride
PubChem CID120856024
Molecular FormulaC17H25ClFN3
Molecular Weight325.86 g/mol
Exact Mass325.17
IUPAC Name1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride
SMILESCl.Fc1ccc2c(c1)N(CC1CCNCC1)CCN2C1CC1
InChIInChI=1S/C17H24FN3.ClH/c18-14-1-4-16-17(11-14)20(9-10-21(16)15-2-3-15)12-13-5-7-19-8-6-13;/h1,4,11,13,15,19H,2-3,5-10,12H2;1H
InChIKeyQDJBOPIXLOUDIM-UHFFFAOYSA-N
XLogP3.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride (CID 120856024) is 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride is Cl.Fc1ccc2c(c1)N(CC1CCNCC1)CCN2C1CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride?
The InChIKey is QDJBOPIXLOUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3.ClH/c18-14-1-4-16-17(11-14)20(9-10-21(16)15-2-3-15)12-13-5-7-19-8-6-13;/h1,4,11,13,15,19H,2-3,5-10,12H2;1H.
What are the key properties of 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride?
1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride has a molecular weight of 325.86 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride is sourced from PubChem (CID 120856024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).