1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol

C10H22IN3O — CID 167232293

IUPAC1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol
SMILESCCCN1CCN(CC(O)NCI)CC1
InChIInChI=1S/C10H22IN3O/c1-2-3-13-4-6-14(7-5-13)8-10(15)12-9-11/h10,12,15H,2-9H2,1H3
InChIKeyRADFUAAQMAWETP-UHFFFAOYSA-N
MW327.21 g/mol
LogP0.31
Rot. Bonds6

About 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol

1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol (PubChem CID 167232293) has the molecular formula C10H22IN3O and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol
PubChem CID167232293
Molecular FormulaC10H22IN3O
Molecular Weight327.21 g/mol
Exact Mass327.08
IUPAC Name1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol
SMILESCCCN1CCN(CC(O)NCI)CC1
InChIInChI=1S/C10H22IN3O/c1-2-3-13-4-6-14(7-5-13)8-10(15)12-9-11/h10,12,15H,2-9H2,1H3
InChIKeyRADFUAAQMAWETP-UHFFFAOYSA-N
XLogP0.31
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol (CID 167232293) is 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol is CCCN1CCN(CC(O)NCI)CC1.
What is the InChIKey of 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol?
The InChIKey is RADFUAAQMAWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22IN3O/c1-2-3-13-4-6-14(7-5-13)8-10(15)12-9-11/h10,12,15H,2-9H2,1H3.
What are the key properties of 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol?
1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol has a molecular weight of 327.21 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethylamino)-2-(4-propylpiperazin-1-yl)ethanol is sourced from PubChem (CID 167232293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).