(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine

C17H24N4 — CID 170752965

IUPAC(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine
SMILESCc1cc([C@@H](C)N)c2nc(N3CCCCC3)c(C)nc2c1
InChIInChI=1S/C17H24N4/c1-11-9-14(12(2)18)16-15(10-11)19-13(3)17(20-16)21-7-5-4-6-8-21/h9-10,12H,4-8,18H2,1-3H3/t12-/m1/s1
InChIKeyXSOQSSMDOCNXTP-GFCCVEGCSA-N
MW284.41 g/mol
LogP3.26
Rot. Bonds2

About (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine

(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine (PubChem CID 170752965) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine
PubChem CID170752965
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine
SMILESCc1cc([C@@H](C)N)c2nc(N3CCCCC3)c(C)nc2c1
InChIInChI=1S/C17H24N4/c1-11-9-14(12(2)18)16-15(10-11)19-13(3)17(20-16)21-7-5-4-6-8-21/h9-10,12H,4-8,18H2,1-3H3/t12-/m1/s1
InChIKeyXSOQSSMDOCNXTP-GFCCVEGCSA-N
XLogP3.26
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine?
The IUPAC name of (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine (CID 170752965) is (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine?
The canonical SMILES for (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine is Cc1cc([C@@H](C)N)c2nc(N3CCCCC3)c(C)nc2c1.
What is the InChIKey of (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine?
The InChIKey is XSOQSSMDOCNXTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4/c1-11-9-14(12(2)18)16-15(10-11)19-13(3)17(20-16)21-7-5-4-6-8-21/h9-10,12H,4-8,18H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine?
(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine has a molecular weight of 284.41 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine is sourced from PubChem (CID 170752965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).