1,4-dimethyl-2-phenylpiperazine;hydroiodide

C12H19IN2 — CID 168921950

IUPAC1,4-dimethyl-2-phenylpiperazine;hydroiodide
SMILESCN1CCN(C)C(c2ccccc2)C1.I
InChIInChI=1S/C12H18N2.HI/c1-13-8-9-14(2)12(10-13)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3;1H
InChIKeyBSSSBHLFHWDCMV-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.22
Rot. Bonds1

About 1,4-dimethyl-2-phenylpiperazine;hydroiodide

1,4-dimethyl-2-phenylpiperazine;hydroiodide (PubChem CID 168921950) has the molecular formula C12H19IN2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 1,4-dimethyl-2-phenylpiperazine;hydroiodide.

Molecular Properties

Compound Name1,4-dimethyl-2-phenylpiperazine;hydroiodide
PubChem CID168921950
Molecular FormulaC12H19IN2
Molecular Weight318.20 g/mol
Exact Mass318.06
IUPAC Name1,4-dimethyl-2-phenylpiperazine;hydroiodide
SMILESCN1CCN(C)C(c2ccccc2)C1.I
InChIInChI=1S/C12H18N2.HI/c1-13-8-9-14(2)12(10-13)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3;1H
InChIKeyBSSSBHLFHWDCMV-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-phenylpiperazine-1-carbaldehyde
CID 175202957
1-methyl-2-phenylazetidine
CID 576373
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-phenylpiperazine;hydroiodide?
The IUPAC name of 1,4-dimethyl-2-phenylpiperazine;hydroiodide (CID 168921950) is 1,4-dimethyl-2-phenylpiperazine;hydroiodide.
What is the SMILES notation for 1,4-dimethyl-2-phenylpiperazine;hydroiodide?
The canonical SMILES for 1,4-dimethyl-2-phenylpiperazine;hydroiodide is CN1CCN(C)C(c2ccccc2)C1.I.
What is the InChIKey of 1,4-dimethyl-2-phenylpiperazine;hydroiodide?
The InChIKey is BSSSBHLFHWDCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.HI/c1-13-8-9-14(2)12(10-13)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3;1H.
What are the key properties of 1,4-dimethyl-2-phenylpiperazine;hydroiodide?
1,4-dimethyl-2-phenylpiperazine;hydroiodide has a molecular weight of 318.20 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-phenylpiperazine;hydroiodide is sourced from PubChem (CID 168921950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).