1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine

C14H22N2O2 — CID 117379704

IUPAC1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
SMILESCOCc1ccc(OC)c(CN2CCNCC2)c1
InChIInChI=1S/C14H22N2O2/c1-17-11-12-3-4-14(18-2)13(9-12)10-16-7-5-15-6-8-16/h3-4,9,15H,5-8,10-11H2,1-2H3
InChIKeyIKNKEUNJRZTGIF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.25
Rot. Bonds5

About 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine

1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine (PubChem CID 117379704) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
PubChem CID117379704
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
SMILESCOCc1ccc(OC)c(CN2CCNCC2)c1
InChIInChI=1S/C14H22N2O2/c1-17-11-12-3-4-14(18-2)13(9-12)10-16-7-5-15-6-8-16/h3-4,9,15H,5-8,10-11H2,1-2H3
InChIKeyIKNKEUNJRZTGIF-UHFFFAOYSA-N
XLogP1.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
4-(methoxymethyl)-2-(piperazin-1-ylmethyl)phenol
CID 83897174
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117384193
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229991

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine (CID 117379704) is 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine is COCc1ccc(OC)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine?
The InChIKey is IKNKEUNJRZTGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-11-12-3-4-14(18-2)13(9-12)10-16-7-5-15-6-8-16/h3-4,9,15H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine?
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine has a molecular weight of 250.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117379704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).