N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine

C18H31N3O — CID 84754111

IUPACN-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(N2CCNCC2)c(OC)c1
InChIInChI=1S/C18H31N3O/c1-4-10-20(11-5-2)15-16-6-7-17(18(14-16)22-3)21-12-8-19-9-13-21/h6-7,14,19H,4-5,8-13,15H2,1-3H3
InChIKeyODIUWEXPFKTYCJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.73
Rot. Bonds8

About N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine

N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine (PubChem CID 84754111) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
PubChem CID84754111
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(N2CCNCC2)c(OC)c1
InChIInChI=1S/C18H31N3O/c1-4-10-20(11-5-2)15-16-6-7-17(18(14-16)22-3)21-12-8-19-9-13-21/h6-7,14,19H,4-5,8-13,15H2,1-3H3
InChIKeyODIUWEXPFKTYCJ-UHFFFAOYSA-N
XLogP2.73
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine 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

(3-methoxy-4-piperazin-1-ylphenyl)methanol
CID 84788686
N-[(3-ethoxy-4-piperazin-1-ylphenyl)methyl]-N-ethylbutan-1-amine
CID 84754145
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 84754118
N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine
CID 84753155
1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
CID 140978412
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine
CID 115047761
1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride
CID 156693635
1-(4-ethyl-2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 138531638

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine (CID 84754111) is N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccc(N2CCNCC2)c(OC)c1.
What is the InChIKey of N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine?
The InChIKey is ODIUWEXPFKTYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-10-20(11-5-2)15-16-6-7-17(18(14-16)22-3)21-12-8-19-9-13-21/h6-7,14,19H,4-5,8-13,15H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine?
N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 84754111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).