2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine

C15H24IN3 — CID 65490706

IUPAC2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C15H24IN3/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-3-5-15(16)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyLERHWOKUMKTCNG-UHFFFAOYSA-N
MW373.28 g/mol
LogP1.97
Rot. Bonds5

About 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 65490706) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID65490706
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccc(I)cc2)CC1
InChIInChI=1S/C15H24IN3/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-3-5-15(16)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyLERHWOKUMKTCNG-UHFFFAOYSA-N
XLogP1.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol
CID 107694036
2-[4-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 103998261
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methoxyaniline
CID 62886240
2-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042871
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 62889539
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]pyridine-2-carbothioamide
CID 63883270
4-[(4-iodophenyl)methyl]-1-methylpiperazin-2-one
CID 65490515
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 55023776
2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine
CID 155177393

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 65490706) is 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(Cc2ccc(I)cc2)CC1.
What is the InChIKey of 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is LERHWOKUMKTCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3/c1-17(2)7-8-18-9-11-19(12-10-18)13-14-3-5-15(16)6-4-14/h3-6H,7-13H2,1-2H3.
What are the key properties of 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 373.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-iodophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 65490706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).