3-(4-methylpiperazin-1-yl)phenol

C11H16N2O — CID 11011455

IUPAC3-(4-methylpiperazin-1-yl)phenol
SMILESCN1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C11H16N2O/c1-12-5-7-13(8-6-12)10-3-2-4-11(14)9-10/h2-4,9,14H,5-8H2,1H3
InChIKeyAISHPJPGKBKMGV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.14
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)phenol

3-(4-methylpiperazin-1-yl)phenol (PubChem CID 11011455) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)phenol
PubChem CID11011455
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(4-methylpiperazin-1-yl)phenol
SMILESCN1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C11H16N2O/c1-12-5-7-13(8-6-12)10-3-2-4-11(14)9-10/h2-4,9,14H,5-8H2,1H3
InChIKeyAISHPJPGKBKMGV-UHFFFAOYSA-N
XLogP1.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Edrophonium Chloride
CID 8307
Edrophonium
CID 3202
3-(Diethylamino)phenol
CID 7062
3-Hydroxy-N-phenylaniline
CID 7546
1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone
CID 712441
3-(Dimethylamino)phenol
CID 7421
N-(3-methoxyphenyl)piperazine
CID 81430
p-(1-Piperazinyl)phenol
CID 92467
N,N-Dibutyl-3-aminophenol
CID 601234
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336
3-Hydroxyphenyltrimethylammonium iodide
CID 17250
3-Ethylaminophenol
CID 578991

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)phenol?
The IUPAC name of 3-(4-methylpiperazin-1-yl)phenol (CID 11011455) is 3-(4-methylpiperazin-1-yl)phenol.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)phenol?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)phenol is CN1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)phenol?
The InChIKey is AISHPJPGKBKMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-5-7-13(8-6-12)10-3-2-4-11(14)9-10/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)phenol?
3-(4-methylpiperazin-1-yl)phenol has a molecular weight of 192.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)phenol is sourced from PubChem (CID 11011455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).