1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine

C18H21IN2 — CID 64935115

IUPAC1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine
SMILESCC1(C)CN(c2ccccc2I)C(c2ccccc2)CN1
InChIInChI=1S/C18H21IN2/c1-18(2)13-21(16-11-7-6-10-15(16)19)17(12-20-18)14-8-4-3-5-9-14/h3-11,17,20H,12-13H2,1-2H3
InChIKeyBSBOAMQTSYIPJV-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.22
Rot. Bonds2

About 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine

1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine (PubChem CID 64935115) has the molecular formula C18H21IN2 and a molecular weight of 392.28 g/mol. Its IUPAC name is 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine
PubChem CID64935115
Molecular FormulaC18H21IN2
Molecular Weight392.28 g/mol
Exact Mass392.07
IUPAC Name1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine
SMILESCC1(C)CN(c2ccccc2I)C(c2ccccc2)CN1
InChIInChI=1S/C18H21IN2/c1-18(2)13-21(16-11-7-6-10-15(16)19)17(12-20-18)14-8-4-3-5-9-14/h3-11,17,20H,12-13H2,1-2H3
InChIKeyBSBOAMQTSYIPJV-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.22
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-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine
CID 64933933
5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine
CID 79786453
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64840282
ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate
CID 82246388
1-(2-iodophenyl)-3,3-dimethyl-1,4-diazepane
CID 64945365
5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine
CID 64840106
5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840285
3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64932194
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64839744
N,N-dimethyl-2-(2,5,5-trimethylpiperazin-1-yl)aniline
CID 106760852
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine (CID 64935115) is 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine is CC1(C)CN(c2ccccc2I)C(c2ccccc2)CN1.
What is the InChIKey of 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine?
The InChIKey is BSBOAMQTSYIPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2/c1-18(2)13-21(16-11-7-6-10-15(16)19)17(12-20-18)14-8-4-3-5-9-14/h3-11,17,20H,12-13H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine?
1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine has a molecular weight of 392.28 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 64935115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).