2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol

C14H22N2O — CID 65417223

IUPAC2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol
SMILESCc1cc(CN2CCNC(C)C2)cc(C)c1O
InChIInChI=1S/C14H22N2O/c1-10-6-13(7-11(2)14(10)17)9-16-5-4-15-12(3)8-16/h6-7,12,15,17H,4-5,8-9H2,1-3H3
InChIKeyLYSZHORXHRRTBP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.80
Rot. Bonds2

About 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol

2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol (PubChem CID 65417223) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol
PubChem CID65417223
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol
SMILESCc1cc(CN2CCNC(C)C2)cc(C)c1O
InChIInChI=1S/C14H22N2O/c1-10-6-13(7-11(2)14(10)17)9-16-5-4-15-12(3)8-16/h6-7,12,15,17H,4-5,8-9H2,1-3H3
InChIKeyLYSZHORXHRRTBP-UHFFFAOYSA-N
XLogP1.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
2-methyl-6-[(3-methylpiperazin-1-yl)methyl]phenol
CID 115903802
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine
CID 65416150
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
(3S)-3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 95449204
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol (CID 65417223) is 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol is Cc1cc(CN2CCNC(C)C2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is LYSZHORXHRRTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-13(7-11(2)14(10)17)9-16-5-4-15-12(3)8-16/h6-7,12,15,17H,4-5,8-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol?
2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 65417223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).