3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol

C18H23N3O — CID 90656675

IUPAC3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol
SMILESOc1cccc(NCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H23N3O/c22-18-8-4-5-16(15-18)19-9-10-20-11-13-21(14-12-20)17-6-2-1-3-7-17/h1-8,15,19,22H,9-14H2
InChIKeyCEHQAPDGUFUFDY-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.63
Rot. Bonds5

About 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol

3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol (PubChem CID 90656675) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol.

Molecular Properties

Compound Name3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol
PubChem CID90656675
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol
SMILESOc1cccc(NCCN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H23N3O/c22-18-8-4-5-16(15-18)19-9-10-20-11-13-21(14-12-20)17-6-2-1-3-7-17/h1-8,15,19,22H,9-14H2
InChIKeyCEHQAPDGUFUFDY-UHFFFAOYSA-N
XLogP2.63
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Edrophonium Chloride
CID 8307
Edrophonium
CID 3202
3-(Diethylamino)phenol
CID 7062
3-Hydroxy-N-phenylaniline
CID 7546
N-(3-methoxyphenyl)piperazine
CID 81430
p-(1-Piperazinyl)phenol
CID 92467
o-(1-Piperazinyl)phenol
CID 70530
N,N-Dibutyl-3-aminophenol
CID 601234
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336
3-Ethylaminophenol
CID 578991
3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
1-(3-Hydroxyphenyl)-4-propylpiperazine
CID 22397846

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol?
The IUPAC name of 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol (CID 90656675) is 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol.
What is the SMILES notation for 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol?
The canonical SMILES for 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol is Oc1cccc(NCCN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol?
The InChIKey is CEHQAPDGUFUFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18-8-4-5-16(15-18)19-9-10-20-11-13-21(14-12-20)17-6-2-1-3-7-17/h1-8,15,19,22H,9-14H2.
What are the key properties of 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol?
3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol has a molecular weight of 297.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylpiperazin-1-yl)ethylamino]phenol is sourced from PubChem (CID 90656675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).