1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine

C15H25N3O — CID 115229991

IUPAC1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
SMILESCCc1ccc(OC)c(CNCN2CCNCC2)c1
InChIInChI=1S/C15H25N3O/c1-3-13-4-5-15(19-2)14(10-13)11-17-12-18-8-6-16-7-9-18/h4-5,10,16-17H,3,6-9,11-12H2,1-2H3
InChIKeySGFRKWKRLWTKMW-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.21
Rot. Bonds6

About 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine

1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine (PubChem CID 115229991) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
PubChem CID115229991
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
SMILESCCc1ccc(OC)c(CNCN2CCNCC2)c1
InChIInChI=1S/C15H25N3O/c1-3-13-4-5-15(19-2)14(10-13)11-17-12-18-8-6-16-7-9-18/h4-5,10,16-17H,3,6-9,11-12H2,1-2H3
InChIKeySGFRKWKRLWTKMW-UHFFFAOYSA-N
XLogP1.21
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229969
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
2-(5-ethyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82090895
N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204419
2-chloro-N-[(5-ethyl-2-methoxyphenyl)methyl]ethanamine
CID 115214822
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
N-(piperazin-1-ylmethyl)-1-(4-propylphenyl)methanamine
CID 115229974
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
1-[(5-ethyl-2-methoxyphenyl)methyl]piperazin-2-one
CID 82296410
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine (CID 115229991) is 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine is CCc1ccc(OC)c(CNCN2CCNCC2)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine?
The InChIKey is SGFRKWKRLWTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-13-4-5-15(19-2)14(10-13)11-17-12-18-8-6-16-7-9-18/h4-5,10,16-17H,3,6-9,11-12H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine?
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine is sourced from PubChem (CID 115229991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).