1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine

C10H19IN2O — CID 163911646

IUPAC1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
SMILESICN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C10H19IN2O/c11-9-13-5-3-12(4-6-13)8-10-2-1-7-14-10/h10H,1-9H2
InChIKeyQSPXDOSZMFEYBA-UHFFFAOYSA-N
MW310.18 g/mol
LogP1.18
Rot. Bonds3

About 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine

1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine (PubChem CID 163911646) has the molecular formula C10H19IN2O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
PubChem CID163911646
Molecular FormulaC10H19IN2O
Molecular Weight310.18 g/mol
Exact Mass310.05
IUPAC Name1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
SMILESICN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C10H19IN2O/c11-9-13-5-3-12(4-6-13)8-10-2-1-7-14-10/h10H,1-9H2
InChIKeyQSPXDOSZMFEYBA-UHFFFAOYSA-N
XLogP1.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476
3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 16768404
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
CID 43253069
1-(oxan-2-ylmethyl)piperazine
CID 14981447
1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine
CID 63666798
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]ethanol
CID 117003496
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
1-(oxolan-2-ylmethyl)azetidin-3-amine
CID 63760708

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine (CID 163911646) is 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine is ICN1CCN(CC2CCCO2)CC1.
What is the InChIKey of 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine?
The InChIKey is QSPXDOSZMFEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IN2O/c11-9-13-5-3-12(4-6-13)8-10-2-1-7-14-10/h10H,1-9H2.
What are the key properties of 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine?
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine has a molecular weight of 310.18 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 163911646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).