1-(chloromethyl)-4-(2-methoxyphenyl)piperazine

C12H17ClN2O — CID 19434771

IUPAC1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCl)CC1
InChIInChI=1S/C12H17ClN2O/c1-16-12-5-3-2-4-11(12)15-8-6-14(10-13)7-9-15/h2-5H,6-10H2,1H3
InChIKeyYAMBCLLUIQOSPU-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.01
Rot. Bonds3

About 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine

1-(chloromethyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 19434771) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
PubChem CID19434771
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCl)CC1
InChIInChI=1S/C12H17ClN2O/c1-16-12-5-3-2-4-11(12)15-8-6-14(10-13)7-9-15/h2-5H,6-10H2,1H3
InChIKeyYAMBCLLUIQOSPU-UHFFFAOYSA-N
XLogP2.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine 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

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
CID 62418788
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839160
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine (CID 19434771) is 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCl)CC1.
What is the InChIKey of 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is YAMBCLLUIQOSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-12-5-3-2-4-11(12)15-8-6-14(10-13)7-9-15/h2-5H,6-10H2,1H3.
What are the key properties of 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine?
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 240.73 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 19434771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).