7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

C14H21N3 — CID 82263603

IUPAC7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1CN1CCNCC1)NCCC2
InChIInChI=1S/C14H21N3/c1-2-13-4-3-12(10-14(13)16-5-1)11-17-8-6-15-7-9-17/h3-4,10,15-16H,1-2,5-9,11H2
InChIKeyYNKPAOYDRCCQIB-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.45
Rot. Bonds2

About 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 82263603) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID82263603
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1CN1CCNCC1)NCCC2
InChIInChI=1S/C14H21N3/c1-2-13-4-3-12(10-14(13)16-5-1)11-17-8-6-15-7-9-17/h3-4,10,15-16H,1-2,5-9,11H2
InChIKeyYNKPAOYDRCCQIB-UHFFFAOYSA-N
XLogP1.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
6-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-indole
CID 115105431
1-(3,4-dihydro-2H-thiochromen-7-ylmethyl)piperazine
CID 117374723
2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
CID 82263601
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 106315075
4-(2,3-dihydro-1H-indol-6-ylmethyl)-2-methylmorpholine
CID 113382511
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453

Frequently Asked Questions

What is the IUPAC name of 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 82263603) is 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1cc2c(cc1CN1CCNCC1)NCCC2.
What is the InChIKey of 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YNKPAOYDRCCQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-13-4-3-12(10-14(13)16-5-1)11-17-8-6-15-7-9-17/h3-4,10,15-16H,1-2,5-9,11H2.
What are the key properties of 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 231.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82263603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).