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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Related Compounds

2-(4-Benzhydrylpiperazin-1-yl)phenol
CID 2406292
2-(4-Benzylpiperazin-1-yl)phenol
CID 8529065
4-(4-Benzylpiperazin-1-yl)phenol
CID 8690650
3-[(7R,8R,9aR)-2-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094376
3-[(7R,8R,9aR)-7,8-dimethyl-2-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094419
2-[Benzyl(butyl)amino]phenol
CID 52933283
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenol
CID 52933525
3-[4-(3-Phenylpropyl)piperazin-1-yl]phenol
CID 54581113
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-hydroxyphenyl)propanamide
CID 126509634
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 2439113
N-(2-hydroxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 12741880
4-({3-[4-(4-Fluorophenyl)-1-piperazinyl]-1-piperidinyl}methyl)phenol
CID 23723473

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).