4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine

C13H21N3O — CID 82291366

IUPAC4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine
SMILESCOc1ccc(CN2CCN(N)CC2)cc1C
InChIInChI=1S/C13H21N3O/c1-11-9-12(3-4-13(11)17-2)10-15-5-7-16(14)8-6-15/h3-4,9H,5-8,10,14H2,1-2H3
InChIKeyXQNOJLKUTZZFOF-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.99
Rot. Bonds3

About 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine

4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine (PubChem CID 82291366) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine
PubChem CID82291366
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine
SMILESCOc1ccc(CN2CCN(N)CC2)cc1C
InChIInChI=1S/C13H21N3O/c1-11-9-12(3-4-13(11)17-2)10-15-5-7-16(14)8-6-15/h3-4,9H,5-8,10,14H2,1-2H3
InChIKeyXQNOJLKUTZZFOF-UHFFFAOYSA-N
XLogP0.99
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
2-[4-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061983
1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine
CID 110399335
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
(3-fluorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399259
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55168856
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine?
The IUPAC name of 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine (CID 82291366) is 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine.
What is the SMILES notation for 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine?
The canonical SMILES for 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine is COc1ccc(CN2CCN(N)CC2)cc1C.
What is the InChIKey of 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine?
The InChIKey is XQNOJLKUTZZFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-9-12(3-4-13(11)17-2)10-15-5-7-16(14)8-6-15/h3-4,9H,5-8,10,14H2,1-2H3.
What are the key properties of 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine?
4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine has a molecular weight of 235.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine is sourced from PubChem (CID 82291366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).