2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline

C16H25N3 — CID 82276002

IUPAC2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc2c(cc1C)C(N1CCNCC1)CC(C)N2
InChIInChI=1S/C16H25N3/c1-11-8-14-15(9-12(11)2)18-13(3)10-16(14)19-6-4-17-5-7-19/h8-9,13,16-18H,4-7,10H2,1-3H3
InChIKeyIACOMQMLEOKMEF-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.45
Rot. Bonds1

About 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline

2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 82276002) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline
PubChem CID82276002
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc2c(cc1C)C(N1CCNCC1)CC(C)N2
InChIInChI=1S/C16H25N3/c1-11-8-14-15(9-12(11)2)18-13(3)10-16(14)19-6-4-17-5-7-19/h8-9,13,16-18H,4-7,10H2,1-3H3
InChIKeyIACOMQMLEOKMEF-UHFFFAOYSA-N
XLogP2.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,7-trimethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82276001
6-ethyl-2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275946
2,5,7-trimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275992
2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874
4-(6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275927
2-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275850
4-(7-methoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275907
4-(2,5,7-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275995
6,7-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275649
1-[5-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 19037256
4-(2,5,8-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275987
1-[4-(2-methylphenyl)cyclohexyl]piperazine
CID 82300745

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline (CID 82276002) is 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline is Cc1cc2c(cc1C)C(N1CCNCC1)CC(C)N2.
What is the InChIKey of 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is IACOMQMLEOKMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-8-14-15(9-12(11)2)18-13(3)10-16(14)19-6-4-17-5-7-19/h8-9,13,16-18H,4-7,10H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline?
2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.40 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-4-piperazin-1-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82276002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).