1-(4-iodophenyl)-2-piperazin-1-ylethanol

C12H17IN2O — CID 3894753

IUPAC1-(4-iodophenyl)-2-piperazin-1-ylethanol
SMILESOC(CN1CCNCC1)c1ccc(I)cc1
InChIInChI=1S/C12H17IN2O/c13-11-3-1-10(2-4-11)12(16)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2
InChIKeyKPNKYFHOTMBQDA-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.23
Rot. Bonds3

About 1-(4-iodophenyl)-2-piperazin-1-ylethanol

1-(4-iodophenyl)-2-piperazin-1-ylethanol (PubChem CID 3894753) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-piperazin-1-ylethanol
PubChem CID3894753
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name1-(4-iodophenyl)-2-piperazin-1-ylethanol
SMILESOC(CN1CCNCC1)c1ccc(I)cc1
InChIInChI=1S/C12H17IN2O/c13-11-3-1-10(2-4-11)12(16)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2
InChIKeyKPNKYFHOTMBQDA-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 4311567
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
CID 82500614
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
1-(5-methylfuran-2-yl)-2-piperazin-1-ylethanol
CID 3494816
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982698
1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol
CID 82263840

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(4-iodophenyl)-2-piperazin-1-ylethanol (CID 3894753) is 1-(4-iodophenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(4-iodophenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(4-iodophenyl)-2-piperazin-1-ylethanol is OC(CN1CCNCC1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-piperazin-1-ylethanol?
The InChIKey is KPNKYFHOTMBQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c13-11-3-1-10(2-4-11)12(16)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2.
What are the key properties of 1-(4-iodophenyl)-2-piperazin-1-ylethanol?
1-(4-iodophenyl)-2-piperazin-1-ylethanol has a molecular weight of 332.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 3894753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).