1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride

C14H23ClN2O — CID 119924453

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
SMILESCOc1ccc(C)cc1CN1CCNC(C)C1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-4-5-14(17-3)13(8-11)10-16-7-6-15-12(2)9-16;/h4-5,8,12,15H,6-7,9-10H2,1-3H3;1H
InChIKeyFKBAOCBEHVIVQM-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.22
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride

1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride (PubChem CID 119924453) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
PubChem CID119924453
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
SMILESCOc1ccc(C)cc1CN1CCNC(C)C1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-11-4-5-14(17-3)13(8-11)10-16-7-6-15-12(2)9-16;/h4-5,8,12,15H,6-7,9-10H2,1-3H3;1H
InChIKeyFKBAOCBEHVIVQM-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 64832813
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
CID 83811097
(3R)-1-[(4-bromo-2-methoxyphenyl)methyl]-3-methylpiperazine
CID 168510186
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
3-[(2-methoxy-5-methylphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927453
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807
1-[(3-chloro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 65419171
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride (CID 119924453) is 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride is COc1ccc(C)cc1CN1CCNC(C)C1.Cl.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride?
The InChIKey is FKBAOCBEHVIVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-11-4-5-14(17-3)13(8-11)10-16-7-6-15-12(2)9-16;/h4-5,8,12,15H,6-7,9-10H2,1-3H3;1H.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride?
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119924453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).