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

C15H23N3 — CID 28776130

IUPAC6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCN(Cc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)12-13-4-5-15-14(11-13)3-2-6-16-15/h4-5,11,16H,2-3,6-10,12H2,1H3
InChIKeyBBHCZLZZXRDVGZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.79
Rot. Bonds2

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

6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 28776130) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID28776130
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCN1CCN(Cc2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)12-13-4-5-15-14(11-13)3-2-6-16-15/h4-5,11,16H,2-3,6-10,12H2,1H3
InChIKeyBBHCZLZZXRDVGZ-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 43581612
6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 43584640
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
3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 93191629
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 103534936

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 28776130) is 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CN1CCN(Cc2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is BBHCZLZZXRDVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-7-9-18(10-8-17)12-13-4-5-15-14(11-13)3-2-6-16-15/h4-5,11,16H,2-3,6-10,12H2,1H3.
What are the key properties of 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 245.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 28776130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).