N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine

C15H25N3O — CID 54983695

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCOc1ccccc1CN(C)CCN1CCNCC1
InChIInChI=1S/C15H25N3O/c1-17(11-12-18-9-7-16-8-10-18)13-14-5-3-4-6-15(14)19-2/h3-6,16H,7-13H2,1-2H3
InChIKeyUASRBQCAOOQYBQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.03
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine

N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 54983695) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
PubChem CID54983695
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCOc1ccccc1CN(C)CCN1CCNCC1
InChIInChI=1S/C15H25N3O/c1-17(11-12-18-9-7-16-8-10-18)13-14-5-3-4-6-15(14)19-2/h3-6,16H,7-13H2,1-2H3
InChIKeyUASRBQCAOOQYBQ-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449633
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63986317
2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119906324
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 80702164
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267446
2-methoxy-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 106792764
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine (CID 54983695) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine is COc1ccccc1CN(C)CCN1CCNCC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is UASRBQCAOOQYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(11-12-18-9-7-16-8-10-18)13-14-5-3-4-6-15(14)19-2/h3-6,16H,7-13H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 263.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 54983695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).