5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline

C20H29N3 — CID 139419955

IUPAC5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline
SMILESc1c(N2CCCCC2)cc2c(c1CC1CCCCC1)=NCCN=2
InChIInChI=1S/C20H29N3/c1-3-7-16(8-4-1)13-17-14-18(23-11-5-2-6-12-23)15-19-20(17)22-10-9-21-19/h14-16H,1-13H2
InChIKeyMCZNYVRIIXVCSG-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.05
Rot. Bonds3

About 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline

5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline (PubChem CID 139419955) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline
PubChem CID139419955
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline
SMILESc1c(N2CCCCC2)cc2c(c1CC1CCCCC1)=NCCN=2
InChIInChI=1S/C20H29N3/c1-3-7-16(8-4-1)13-17-14-18(23-11-5-2-6-12-23)15-19-20(17)22-10-9-21-19/h14-16H,1-13H2
InChIKeyMCZNYVRIIXVCSG-UHFFFAOYSA-N
XLogP3.05
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline?
The IUPAC name of 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline (CID 139419955) is 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline.
What is the SMILES notation for 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline?
The canonical SMILES for 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline is c1c(N2CCCCC2)cc2c(c1CC1CCCCC1)=NCCN=2.
What is the InChIKey of 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline?
The InChIKey is MCZNYVRIIXVCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-3-7-16(8-4-1)13-17-14-18(23-11-5-2-6-12-23)15-19-20(17)22-10-9-21-19/h14-16H,1-13H2.
What are the key properties of 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline?
5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline has a molecular weight of 311.47 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-7-piperidin-1-yl-2,3-dihydroquinoxaline is sourced from PubChem (CID 139419955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).