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

C14H21N3 — CID 82510182

IUPAC8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(CN3CCNCC3)c1)NCCC2
InChIInChI=1S/C14H21N3/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17/h1,3-4,15-16H,2,5-11H2
InChIKeyIEZYQGDXBCQZBQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.45
Rot. Bonds2

About 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline

8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 82510182) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID82510182
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(CN3CCNCC3)c1)NCCC2
InChIInChI=1S/C14H21N3/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17/h1,3-4,15-16H,2,5-11H2
InChIKeyIEZYQGDXBCQZBQ-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

4-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)morpholine
CID 28775243
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779417
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504

Frequently Asked Questions

What is the IUPAC name of 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 82510182) is 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(CN3CCNCC3)c1)NCCC2.
What is the InChIKey of 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is IEZYQGDXBCQZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17/h1,3-4,15-16H,2,5-11H2.
What are the key properties of 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline?
8-(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 8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82510182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).