1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine

C14H21ClN2O2 — CID 117458592

IUPAC1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
SMILESCOc1cc(C)c(OC)c(Cl)c1CN1CCNCC1
InChIInChI=1S/C14H21ClN2O2/c1-10-8-12(18-2)11(13(15)14(10)19-3)9-17-6-4-16-5-7-17/h8,16H,4-7,9H2,1-3H3
InChIKeyFQOACUOOCABVJD-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.07
Rot. Bonds4

About 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine

1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine (PubChem CID 117458592) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
PubChem CID117458592
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
SMILESCOc1cc(C)c(OC)c(Cl)c1CN1CCNCC1
InChIInChI=1S/C14H21ClN2O2/c1-10-8-12(18-2)11(13(15)14(10)19-3)9-17-6-4-16-5-7-17/h8,16H,4-7,9H2,1-3H3
InChIKeyFQOACUOOCABVJD-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
1-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,4-diazepane
CID 82305364
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperazine
CID 117475519
1-[(3-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390262
4-chloro-2-methoxy-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117458546
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]piperazine
CID 117482052
1-[(4-methoxy-3-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117411213
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine (CID 117458592) is 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine is COc1cc(C)c(OC)c(Cl)c1CN1CCNCC1.
What is the InChIKey of 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine?
The InChIKey is FQOACUOOCABVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10-8-12(18-2)11(13(15)14(10)19-3)9-17-6-4-16-5-7-17/h8,16H,4-7,9H2,1-3H3.
What are the key properties of 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine?
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine has a molecular weight of 284.79 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 117458592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).