8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline

C13H21N3 — CID 123972302

IUPAC8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline
SMILESC1=C2CCCC(N3CCNCC3)C2=NCC1
InChIInChI=1S/C13H21N3/c1-3-11-4-2-6-15-13(11)12(5-1)16-9-7-14-8-10-16/h4,12,14H,1-3,5-10H2
InChIKeyQIIPUKQZJVHANO-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.22
Rot. Bonds1

About 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline

8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline (PubChem CID 123972302) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline
PubChem CID123972302
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline
SMILESC1=C2CCCC(N3CCNCC3)C2=NCC1
InChIInChI=1S/C13H21N3/c1-3-11-4-2-6-15-13(11)12(5-1)16-9-7-14-8-10-16/h4,12,14H,1-3,5-10H2
InChIKeyQIIPUKQZJVHANO-UHFFFAOYSA-N
XLogP1.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
CID 89742668
2,3,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 90960597
2,3,5,6,7,8-Hexahydro-1,6-naphthyridine
CID 91152467
1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
CID 123300753
1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
CID 123479366
ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine
CID 142367512
(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
CID 170079294
1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine
CID 142367513

Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline?
The IUPAC name of 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline (CID 123972302) is 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline?
The canonical SMILES for 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline is C1=C2CCCC(N3CCNCC3)C2=NCC1.
What is the InChIKey of 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline?
The InChIKey is QIIPUKQZJVHANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-11-4-2-6-15-13(11)12(5-1)16-9-7-14-8-10-16/h4,12,14H,1-3,5-10H2.
What are the key properties of 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline?
8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline has a molecular weight of 219.33 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-yl-2,3,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 123972302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).