1-iodo-4-(oxan-2-ylmethyl)piperazine

C10H19IN2O — CID 135253096

IUPAC1-iodo-4-(oxan-2-ylmethyl)piperazine
SMILESIN1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C10H19IN2O/c11-13-6-4-12(5-7-13)9-10-3-1-2-8-14-10/h10H,1-9H2
InChIKeyQTBDCENQHIQXPG-UHFFFAOYSA-N
MW310.18 g/mol
LogP1.52
Rot. Bonds2

About 1-iodo-4-(oxan-2-ylmethyl)piperazine

1-iodo-4-(oxan-2-ylmethyl)piperazine (PubChem CID 135253096) has the molecular formula C10H19IN2O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-iodo-4-(oxan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-iodo-4-(oxan-2-ylmethyl)piperazine
PubChem CID135253096
Molecular FormulaC10H19IN2O
Molecular Weight310.18 g/mol
Exact Mass310.05
IUPAC Name1-iodo-4-(oxan-2-ylmethyl)piperazine
SMILESIN1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C10H19IN2O/c11-13-6-4-12(5-7-13)9-10-3-1-2-8-14-10/h10H,1-9H2
InChIKeyQTBDCENQHIQXPG-UHFFFAOYSA-N
XLogP1.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-4-(oxan-2-ylmethyl)piperazine
CID 53530223
1-((tetrahydro-2H-pyran-2-yl)methyl)piperidine
CID 91362714
2,6-Dimethyl-4-(oxan-2-ylmethyl)morpholine
CID 45794513
N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide
CID 51077626
1,4-Bis(tetrahydro-2H-pyran-2-ylmethyl)piperazine dihydrochloride
CID 16206893
1-[1-(Oxan-2-ylmethyl)piperidin-3-yl]azepane
CID 53591730
1,4-Bis(oxan-2-ylmethyl)piperazine;hydrochloride
CID 54599864
1-[(Oxan-2-yl)methyl]piperazine
CID 14981447
1-isopropyl-4-((tetrahydro-2H-pyran-2-yl)methyl)piperazine
CID 53528212
1-(2-Cyclohexyloxyethyl)piperidine
CID 85568733
4-(Oxan-2-ylmethyl)morpholine
CID 91344932
2-Methyl-4-(2-piperidin-1-ylethyl)morpholine
CID 122545792

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(oxan-2-ylmethyl)piperazine?
The IUPAC name of 1-iodo-4-(oxan-2-ylmethyl)piperazine (CID 135253096) is 1-iodo-4-(oxan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-iodo-4-(oxan-2-ylmethyl)piperazine?
The canonical SMILES for 1-iodo-4-(oxan-2-ylmethyl)piperazine is IN1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 1-iodo-4-(oxan-2-ylmethyl)piperazine?
The InChIKey is QTBDCENQHIQXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2O/c11-13-6-4-12(5-7-13)9-10-3-1-2-8-14-10/h10H,1-9H2.
What are the key properties of 1-iodo-4-(oxan-2-ylmethyl)piperazine?
1-iodo-4-(oxan-2-ylmethyl)piperazine has a molecular weight of 310.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(oxan-2-ylmethyl)piperazine is sourced from PubChem (CID 135253096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).