1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride

C12H18ClIN2 — CID 119916408

IUPAC1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1ccc(I)cc1.Cl
InChIInChI=1S/C12H17IN2.ClH/c1-10-8-14-6-7-15(10)9-11-2-4-12(13)5-3-11;/h2-5,10,14H,6-9H2,1H3;1H
InChIKeyFEAUSPSUKMMVJS-UHFFFAOYSA-N
MW352.65 g/mol
LogP2.51
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride

1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 119916408) has the molecular formula C12H18ClIN2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID119916408
Molecular FormulaC12H18ClIN2
Molecular Weight352.65 g/mol
Exact Mass352.02
IUPAC Name1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1ccc(I)cc1.Cl
InChIInChI=1S/C12H17IN2.ClH/c1-10-8-14-6-7-15(10)9-11-2-4-12(13)5-3-11;/h2-5,10,14H,6-9H2,1H3;1H
InChIKeyFEAUSPSUKMMVJS-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.65
LogP ≤ 52.51
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

4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine
CID 134406698
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
(2S)-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 82755314
(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride (CID 119916408) is 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride is CC1CNCCN1Cc1ccc(I)cc1.Cl.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is FEAUSPSUKMMVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2.ClH/c1-10-8-14-6-7-15(10)9-11-2-4-12(13)5-3-11;/h2-5,10,14H,6-9H2,1H3;1H.
What are the key properties of 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride?
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 352.65 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 119916408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).