(3-methoxyphenyl)-piperazin-1-ylmethanamine

C12H19N3O — CID 116939833

IUPAC(3-methoxyphenyl)-piperazin-1-ylmethanamine
SMILESCOc1cccc(C(N)N2CCNCC2)c1
InChIInChI=1S/C12H19N3O/c1-16-11-4-2-3-10(9-11)12(13)15-7-5-14-6-8-15/h2-4,9,12,14H,5-8,13H2,1H3
InChIKeyLVNRHQXYJNZWRW-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.56
Rot. Bonds3

About (3-methoxyphenyl)-piperazin-1-ylmethanamine

(3-methoxyphenyl)-piperazin-1-ylmethanamine (PubChem CID 116939833) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3-methoxyphenyl)-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name(3-methoxyphenyl)-piperazin-1-ylmethanamine
PubChem CID116939833
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3-methoxyphenyl)-piperazin-1-ylmethanamine
SMILESCOc1cccc(C(N)N2CCNCC2)c1
InChIInChI=1S/C12H19N3O/c1-16-11-4-2-3-10(9-11)12(13)15-7-5-14-6-8-15/h2-4,9,12,14H,5-8,13H2,1H3
InChIKeyLVNRHQXYJNZWRW-UHFFFAOYSA-N
XLogP0.56
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-methoxyphenyl)-piperazin-1-ylmethanamine 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

(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641
1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171286732
1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3847657
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine
CID 129493110
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-piperazin-1-ylmethanamine?
The IUPAC name of (3-methoxyphenyl)-piperazin-1-ylmethanamine (CID 116939833) is (3-methoxyphenyl)-piperazin-1-ylmethanamine.
What is the SMILES notation for (3-methoxyphenyl)-piperazin-1-ylmethanamine?
The canonical SMILES for (3-methoxyphenyl)-piperazin-1-ylmethanamine is COc1cccc(C(N)N2CCNCC2)c1.
What is the InChIKey of (3-methoxyphenyl)-piperazin-1-ylmethanamine?
The InChIKey is LVNRHQXYJNZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-11-4-2-3-10(9-11)12(13)15-7-5-14-6-8-15/h2-4,9,12,14H,5-8,13H2,1H3.
What are the key properties of (3-methoxyphenyl)-piperazin-1-ylmethanamine?
(3-methoxyphenyl)-piperazin-1-ylmethanamine has a molecular weight of 221.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-piperazin-1-ylmethanamine is sourced from PubChem (CID 116939833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).