2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol

C21H27N3O — CID 71853602

IUPAC2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(CCN2CCCc3ccccc32)CC1
InChIInChI=1S/C21H27N3O/c25-21-10-4-3-9-20(21)24-16-13-22(14-17-24)12-15-23-11-5-7-18-6-1-2-8-19(18)23/h1-4,6,8-10,25H,5,7,11-17H2
InChIKeyCMYUCKPYBAEWII-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol

2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol (PubChem CID 71853602) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol
PubChem CID71853602
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(CCN2CCCc3ccccc32)CC1
InChIInChI=1S/C21H27N3O/c25-21-10-4-3-9-20(21)24-16-13-22(14-17-24)12-15-23-11-5-7-18-6-1-2-8-19(18)23/h1-4,6,8-10,25H,5,7,11-17H2
InChIKeyCMYUCKPYBAEWII-UHFFFAOYSA-N
XLogP2.97
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol (CID 71853602) is 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(CCN2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol?
The InChIKey is CMYUCKPYBAEWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21-10-4-3-9-20(21)24-16-13-22(14-17-24)12-15-23-11-5-7-18-6-1-2-8-19(18)23/h1-4,6,8-10,25H,5,7,11-17H2.
What are the key properties of 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol?
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol has a molecular weight of 337.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 71853602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).