N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine

C16H27N3O2 — CID 63267446

IUPACN-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCOc1cc(CN(C)CCN2CCNCC2)cc(OC)c1
InChIInChI=1S/C16H27N3O2/c1-18(8-9-19-6-4-17-5-7-19)13-14-10-15(20-2)12-16(11-14)21-3/h10-12,17H,4-9,13H2,1-3H3
InChIKeyISLDGJQCJPJWTB-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.04
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine

N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 63267446) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
PubChem CID63267446
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCOc1cc(CN(C)CCN2CCNCC2)cc(OC)c1
InChIInChI=1S/C16H27N3O2/c1-18(8-9-19-6-4-17-5-7-19)13-14-10-15(20-2)12-16(11-14)21-3/h10-12,17H,4-9,13H2,1-3H3
InChIKeyISLDGJQCJPJWTB-UHFFFAOYSA-N
XLogP1.04
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 106792764
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63986317
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266168
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine (CID 63267446) is N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine is COc1cc(CN(C)CCN2CCNCC2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is ISLDGJQCJPJWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18(8-9-19-6-4-17-5-7-19)13-14-10-15(20-2)12-16(11-14)21-3/h10-12,17H,4-9,13H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 293.41 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 63267446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).