1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine

C12H16ClIN2 — CID 107604020

IUPAC1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(c2ccc(I)cc2Cl)CCN1
InChIInChI=1S/C12H16ClIN2/c1-12(2)8-16(6-5-15-12)11-4-3-9(14)7-10(11)13/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyFKYCBNIMNINNOZ-UHFFFAOYSA-N
MW350.63 g/mol
LogP3.13
Rot. Bonds1

About 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine

1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine (PubChem CID 107604020) has the molecular formula C12H16ClIN2 and a molecular weight of 350.63 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine
PubChem CID107604020
Molecular FormulaC12H16ClIN2
Molecular Weight350.63 g/mol
Exact Mass350.00
IUPAC Name1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine
SMILESCC1(C)CN(c2ccc(I)cc2Cl)CCN1
InChIInChI=1S/C12H16ClIN2/c1-12(2)8-16(6-5-15-12)11-4-3-9(14)7-10(11)13/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyFKYCBNIMNINNOZ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.63
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine
CID 64925997
1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine
CID 64926252
1-(2,6-dichloro-4-fluorophenyl)-3,3-dimethylpiperazine
CID 83081367
1-(2,4-dimethoxyphenyl)-3,3-dimethylpiperazine
CID 64924000
4-(3,3-dimethylpiperazin-1-yl)-3-fluorobenzonitrile
CID 82993708
3,3-dimethyl-1-(2-methyl-4-nitrophenyl)piperazine
CID 82994396
1-(2-chloro-4-iodophenyl)-2,5-dihydropyrrole
CID 107606932
5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine
CID 82994053
1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
CID 64926759
1-(2-iodophenyl)-3,3-dimethyl-1,4-diazepane
CID 64945365
1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine
CID 64925092
1-(5-bromo-2-methoxyphenyl)-3,3-dimethylpiperazine
CID 64954711

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine (CID 107604020) is 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine is CC1(C)CN(c2ccc(I)cc2Cl)CCN1.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine?
The InChIKey is FKYCBNIMNINNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2/c1-12(2)8-16(6-5-15-12)11-4-3-9(14)7-10(11)13/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine?
1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine has a molecular weight of 350.63 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 107604020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).