3-(1-methylpiperazin-2-yl)phenol

C11H16N2O — CID 55262595

IUPAC3-(1-methylpiperazin-2-yl)phenol
SMILESCN1CCNCC1c1cccc(O)c1
InChIInChI=1S/C11H16N2O/c1-13-6-5-12-8-11(13)9-3-2-4-10(14)7-9/h2-4,7,11-12,14H,5-6,8H2,1H3
InChIKeyCCQPYANBLJWDTO-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.97
Rot. Bonds1

About 3-(1-methylpiperazin-2-yl)phenol

3-(1-methylpiperazin-2-yl)phenol (PubChem CID 55262595) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)phenol.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)phenol
PubChem CID55262595
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(1-methylpiperazin-2-yl)phenol
SMILESCN1CCNCC1c1cccc(O)c1
InChIInChI=1S/C11H16N2O/c1-13-6-5-12-8-11(13)9-3-2-4-10(14)7-9/h2-4,7,11-12,14H,5-6,8H2,1H3
InChIKeyCCQPYANBLJWDTO-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(1-methylpiperazin-2-yl)phenol
CID 82679784
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
4-(1-methylpiperazin-2-yl)benzoic acid
CID 116989147
2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
CID 70977935
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
3-pyrrolidin-3-ylphenol
CID 12937992
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
CID 82086895
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
N,N-dimethyl-5-(1-methylpiperazin-2-yl)pyridin-2-amine
CID 131540861

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)phenol?
The IUPAC name of 3-(1-methylpiperazin-2-yl)phenol (CID 55262595) is 3-(1-methylpiperazin-2-yl)phenol.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)phenol?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)phenol is CN1CCNCC1c1cccc(O)c1.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)phenol?
The InChIKey is CCQPYANBLJWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-6-5-12-8-11(13)9-3-2-4-10(14)7-9/h2-4,7,11-12,14H,5-6,8H2,1H3.
What are the key properties of 3-(1-methylpiperazin-2-yl)phenol?
3-(1-methylpiperazin-2-yl)phenol has a molecular weight of 192.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)phenol is sourced from PubChem (CID 55262595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).