N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine

C21H27FN4 — CID 139801667

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine
SMILESFc1ccc(N2CCN(CCNc3ccnc4c3CCCC4)CC2)cc1
InChIInChI=1S/C21H27FN4/c22-17-5-7-18(8-6-17)26-15-13-25(14-16-26)12-11-24-21-9-10-23-20-4-2-1-3-19(20)21/h5-10H,1-4,11-16H2,(H,23,24)
InChIKeyFIXUBIRGJGYBHQ-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.33
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine (PubChem CID 139801667) has the molecular formula C21H27FN4 and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine
PubChem CID139801667
Molecular FormulaC21H27FN4
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine
SMILESFc1ccc(N2CCN(CCNc3ccnc4c3CCCC4)CC2)cc1
InChIInChI=1S/C21H27FN4/c22-17-5-7-18(8-6-17)26-15-13-25(14-16-26)12-11-24-21-9-10-23-20-4-2-1-3-19(20)21/h5-10H,1-4,11-16H2,(H,23,24)
InChIKeyFIXUBIRGJGYBHQ-UHFFFAOYSA-N
XLogP3.33
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
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2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 139680137
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10786275
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1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
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CID 63318148
1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
CID 142648014
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine (CID 139801667) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine is Fc1ccc(N2CCN(CCNc3ccnc4c3CCCC4)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine?
The InChIKey is FIXUBIRGJGYBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4/c22-17-5-7-18(8-6-17)26-15-13-25(14-16-26)12-11-24-21-9-10-23-20-4-2-1-3-19(20)21/h5-10H,1-4,11-16H2,(H,23,24).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine has a molecular weight of 354.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine is sourced from PubChem (CID 139801667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).