1-benzyl-4-iodo-2-phenylpiperazine

C17H19IN2 — CID 163774548

IUPAC1-benzyl-4-iodo-2-phenylpiperazine
SMILESIN1CCN(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H19IN2/c18-20-12-11-19(13-15-7-3-1-4-8-15)17(14-20)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyMJGSWJWHNBULMM-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.90
Rot. Bonds3

About 1-benzyl-4-iodo-2-phenylpiperazine

1-benzyl-4-iodo-2-phenylpiperazine (PubChem CID 163774548) has the molecular formula C17H19IN2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 1-benzyl-4-iodo-2-phenylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-iodo-2-phenylpiperazine
PubChem CID163774548
Molecular FormulaC17H19IN2
Molecular Weight378.26 g/mol
Exact Mass378.06
IUPAC Name1-benzyl-4-iodo-2-phenylpiperazine
SMILESIN1CCN(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C17H19IN2/c18-20-12-11-19(13-15-7-3-1-4-8-15)17(14-20)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyMJGSWJWHNBULMM-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-3-phenylpiperazin-1-amine
CID 3030044
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577108
4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577111
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-benzyl-3-[(4-chlorophenyl)methyl]-2-phenylimidazolidine
CID 101217631
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
1-benzyl-2-(4-nitrophenyl)aziridine
CID 11368817
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
1-benzyl-5-ethyl-2-phenylpiperazine
CID 64841572
(2R)-1-chloro-2-phenylaziridine
CID 13129910
N,N-diethyl-2-[3-phenyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanamine
CID 54566101

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-iodo-2-phenylpiperazine?
The IUPAC name of 1-benzyl-4-iodo-2-phenylpiperazine (CID 163774548) is 1-benzyl-4-iodo-2-phenylpiperazine.
What is the SMILES notation for 1-benzyl-4-iodo-2-phenylpiperazine?
The canonical SMILES for 1-benzyl-4-iodo-2-phenylpiperazine is IN1CCN(Cc2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 1-benzyl-4-iodo-2-phenylpiperazine?
The InChIKey is MJGSWJWHNBULMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2/c18-20-12-11-19(13-15-7-3-1-4-8-15)17(14-20)16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 1-benzyl-4-iodo-2-phenylpiperazine?
1-benzyl-4-iodo-2-phenylpiperazine has a molecular weight of 378.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-iodo-2-phenylpiperazine is sourced from PubChem (CID 163774548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).