2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine

C17H25IN2 — CID 65491763

IUPAC2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
SMILESCCC1(C)CN(Cc2ccc(I)cc2)C(C2CC2)CN1
InChIInChI=1S/C17H25IN2/c1-3-17(2)12-20(16(10-19-17)14-6-7-14)11-13-4-8-15(18)9-5-13/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyGGIRBJDQMJWMPG-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine

2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine (PubChem CID 65491763) has the molecular formula C17H25IN2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
PubChem CID65491763
Molecular FormulaC17H25IN2
Molecular Weight384.31 g/mol
Exact Mass384.11
IUPAC Name2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
SMILESCCC1(C)CN(Cc2ccc(I)cc2)C(C2CC2)CN1
InChIInChI=1S/C17H25IN2/c1-3-17(2)12-20(16(10-19-17)14-6-7-14)11-13-4-8-15(18)9-5-13/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyGGIRBJDQMJWMPG-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.64
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

2-cyclopropyl-1-[(3,5-dimethylphenyl)methyl]-5-ethyl-5-methylpiperazine
CID 64847175
2-cyclopropyl-5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055845
2-cyclopropyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113712
2-cyclopropyl-5-ethyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64847174
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 64838558
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
2-cyclopropyl-1-(3-ethoxypropyl)-5-ethyl-5-methylpiperazine
CID 65177810
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5,5-diethylpiperazine
CID 64861791
2-cyclopropyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65488983
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64877376
2-cyclohexyl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64849473

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine?
The IUPAC name of 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine (CID 65491763) is 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine is CCC1(C)CN(Cc2ccc(I)cc2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine?
The InChIKey is GGIRBJDQMJWMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25IN2/c1-3-17(2)12-20(16(10-19-17)14-6-7-14)11-13-4-8-15(18)9-5-13/h4-5,8-9,14,16,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine?
2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine has a molecular weight of 384.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 65491763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).