6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

C17H27N3 — CID 28776065

IUPAC6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCN1CCN(Cc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H27N3/c1-2-8-19-9-11-20(12-10-19)14-15-5-6-17-16(13-15)4-3-7-18-17/h5-6,13,18H,2-4,7-12,14H2,1H3
InChIKeyJCZYKGXPSQXHFE-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.57
Rot. Bonds4

About 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 28776065) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID28776065
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCN1CCN(Cc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H27N3/c1-2-8-19-9-11-20(12-10-19)14-15-5-6-17-16(13-15)4-3-7-18-17/h5-6,13,18H,2-4,7-12,14H2,1H3
InChIKeyJCZYKGXPSQXHFE-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 43584640
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453
5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 43581612
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazepane
CID 61419750
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 62084010
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 28776065) is 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCCN1CCN(Cc2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is JCZYKGXPSQXHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-8-19-9-11-20(12-10-19)14-15-5-6-17-16(13-15)4-3-7-18-17/h5-6,13,18H,2-4,7-12,14H2,1H3.
What are the key properties of 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 28776065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).