1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride

C14H23ClN2O3 — CID 46736385

IUPAC1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CN1CCNCC1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-17-12-9-14(19-3)13(18-2)8-11(12)10-16-6-4-15-5-7-16;/h8-9,15H,4-7,10H2,1-3H3;1H
InChIKeyLVLMPTQSSWHYJY-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.54
Rot. Bonds5

About 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride

1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 46736385) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID46736385
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CN1CCNCC1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-17-12-9-14(19-3)13(18-2)8-11(12)10-16-6-4-15-5-7-16;/h8-9,15H,4-7,10H2,1-3H3;1H
InChIKeyLVLMPTQSSWHYJY-UHFFFAOYSA-N
XLogP1.54
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
CID 117461783
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83956913

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride (CID 46736385) is 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride is COc1cc(OC)c(OC)cc1CN1CCNCC1.Cl.
What is the InChIKey of 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is LVLMPTQSSWHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-17-12-9-14(19-3)13(18-2)8-11(12)10-16-6-4-15-5-7-16;/h8-9,15H,4-7,10H2,1-3H3;1H.
What are the key properties of 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride?
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 46736385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).