[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine

C14H23N3O — CID 84754915

IUPAC[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
SMILESCCOc1cc(CN2CCNCC2)ccc1CN
InChIInChI=1S/C14H23N3O/c1-2-18-14-9-12(3-4-13(14)10-15)11-17-7-5-16-6-8-17/h3-4,9,16H,2,5-8,10-11,15H2,1H3
InChIKeyTXLKOADNPIELRD-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.95
Rot. Bonds5

About [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine

[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine (PubChem CID 84754915) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
PubChem CID84754915
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
SMILESCCOc1cc(CN2CCNCC2)ccc1CN
InChIInChI=1S/C14H23N3O/c1-2-18-14-9-12(3-4-13(14)10-15)11-17-7-5-16-6-8-17/h3-4,9,16H,2,5-8,10-11,15H2,1H3
InChIKeyTXLKOADNPIELRD-UHFFFAOYSA-N
XLogP0.95
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethoxy-4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 84754907
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1,4-diazepan-5-one
CID 106785491
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
CID 166799801
[4-(azepan-1-ylmethyl)-2-propan-2-yloxyphenyl]methanamine
CID 84754923

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine (CID 84754915) is [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine is CCOc1cc(CN2CCNCC2)ccc1CN.
What is the InChIKey of [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine?
The InChIKey is TXLKOADNPIELRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-18-14-9-12(3-4-13(14)10-15)11-17-7-5-16-6-8-17/h3-4,9,16H,2,5-8,10-11,15H2,1H3.
What are the key properties of [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine?
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 84754915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).