8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline

C16H25N3 — CID 81217574

IUPAC8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCN1CCN(c2cccc3c2NCCC3)CC1
InChIInChI=1S/C16H25N3/c1-2-9-18-10-12-19(13-11-18)15-7-3-5-14-6-4-8-17-16(14)15/h3,5,7,17H,2,4,6,8-13H2,1H3
InChIKeyDRCJIZUDPNOHIC-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds3

About 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline

8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81217574) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81217574
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCN1CCN(c2cccc3c2NCCC3)CC1
InChIInChI=1S/C16H25N3/c1-2-9-18-10-12-19(13-11-18)15-7-3-5-14-6-4-8-17-16(14)15/h3,5,7,17H,2,4,6,8-13H2,1H3
InChIKeyDRCJIZUDPNOHIC-UHFFFAOYSA-N
XLogP2.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81217574) is 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline is CCCN1CCN(c2cccc3c2NCCC3)CC1.
What is the InChIKey of 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is DRCJIZUDPNOHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-9-18-10-12-19(13-11-18)15-7-3-5-14-6-4-8-17-16(14)15/h3,5,7,17H,2,4,6,8-13H2,1H3.
What are the key properties of 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81217574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).