2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline

C13H19N3 — CID 46228433

IUPAC2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline
SMILESc1cc2c(nc1N1CCNCC1)CCCC2
InChIInChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h5-6,14H,1-4,7-10H2
InChIKeyOHJFBSROVXQKFQ-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.37
Rot. Bonds1

About 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline

2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 46228433) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline
PubChem CID46228433
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline
SMILESc1cc2c(nc1N1CCNCC1)CCCC2
InChIInChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h5-6,14H,1-4,7-10H2
InChIKeyOHJFBSROVXQKFQ-UHFFFAOYSA-N
XLogP1.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline (CID 46228433) is 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline is c1cc2c(nc1N1CCNCC1)CCCC2.
What is the InChIKey of 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is OHJFBSROVXQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h5-6,14H,1-4,7-10H2.
What are the key properties of 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline?
2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 217.32 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 46228433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).