4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine

C11H23IN2 — CID 147800637

IUPAC4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine
SMILESCC(I)N1CCN(C(C)(C)C)CC1C
InChIInChI=1S/C11H23IN2/c1-9-8-13(11(3,4)5)6-7-14(9)10(2)12/h9-10H,6-8H2,1-5H3
InChIKeyHLLHLBFGGKDIEM-UHFFFAOYSA-N
MW310.22 g/mol
LogP2.57
Rot. Bonds1

About 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine

4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine (PubChem CID 147800637) has the molecular formula C11H23IN2 and a molecular weight of 310.22 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine
PubChem CID147800637
Molecular FormulaC11H23IN2
Molecular Weight310.22 g/mol
Exact Mass310.09
IUPAC Name4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine
SMILESCC(I)N1CCN(C(C)(C)C)CC1C
InChIInChI=1S/C11H23IN2/c1-9-8-13(11(3,4)5)6-7-14(9)10(2)12/h9-10H,6-8H2,1-5H3
InChIKeyHLLHLBFGGKDIEM-UHFFFAOYSA-N
XLogP2.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,4-ditert-butyl-2-methylpiperazine
CID 58993903
(2R)-4-tert-butyl-2-methylpiperazine-1-carbonitrile
CID 89081107
4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2-methylpiperazine
CID 176629966
4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane
CID 155690234
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
CID 70790415
1,4-ditert-butyl-6-methylpiperazin-2-one
CID 138627508
(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine
CID 168820917
4-tert-butyl-1-(1-tert-butylpiperidin-3-yl)sulfonyl-2-methylpiperazine
CID 142336137
(4-tert-butylpiperazin-1-yl)-trimethylphosphanium
CID 166868220
4-tert-butyl-2-propan-2-ylmorpholine
CID 134252869
1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633
2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 158229285

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine?
The IUPAC name of 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine (CID 147800637) is 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine.
What is the SMILES notation for 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine?
The canonical SMILES for 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine is CC(I)N1CCN(C(C)(C)C)CC1C.
What is the InChIKey of 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine?
The InChIKey is HLLHLBFGGKDIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23IN2/c1-9-8-13(11(3,4)5)6-7-14(9)10(2)12/h9-10H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine?
4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine has a molecular weight of 310.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-iodoethyl)-2-methylpiperazine is sourced from PubChem (CID 147800637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).