4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine

C12H24IN3 — CID 167014766

IUPAC4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine
SMILESCC1CN(C2CCN(I)CC2)CC(C)N1C
InChIInChI=1S/C12H24IN3/c1-10-8-15(9-11(2)14(10)3)12-4-6-16(13)7-5-12/h10-12H,4-9H2,1-3H3
InChIKeyXAQTYYLHPYCJNV-UHFFFAOYSA-N
MW337.25 g/mol
LogP1.83
Rot. Bonds1

About 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine

4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine (PubChem CID 167014766) has the molecular formula C12H24IN3 and a molecular weight of 337.25 g/mol. Its IUPAC name is 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine
PubChem CID167014766
Molecular FormulaC12H24IN3
Molecular Weight337.25 g/mol
Exact Mass337.10
IUPAC Name4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine
SMILESCC1CN(C2CCN(I)CC2)CC(C)N1C
InChIInChI=1S/C12H24IN3/c1-10-8-15(9-11(2)14(10)3)12-4-6-16(13)7-5-12/h10-12H,4-9H2,1-3H3
InChIKeyXAQTYYLHPYCJNV-UHFFFAOYSA-N
XLogP1.83
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 51.83
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-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine
CID 130391537
tert-butyl 4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]piperidine-1-carboxylate
CID 146498263
1-(1-iodopiperidin-4-yl)-4-propylpiperazine
CID 170084065
3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine
CID 2846436
1,2,4,6-tetramethylpiperazine
CID 22088083
(2R)-4-cyclobutyl-1,2-dimethylpiperazine
CID 145118927
1,2-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 90720386
1,4-dimethylpiperazine;1,2,4,6-tetramethylpiperazine
CID 145359849
1,2-dimethyl-4-(4-methylcyclohexyl)piperazine
CID 152789623
1-methyl-4-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]piperidine
CID 169257843
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
(2R)-4-cyclobutyl-1-ethyl-2-methylpiperazine
CID 145118975

Frequently Asked Questions

What is the IUPAC name of 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine?
The IUPAC name of 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine (CID 167014766) is 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine is CC1CN(C2CCN(I)CC2)CC(C)N1C.
What is the InChIKey of 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine?
The InChIKey is XAQTYYLHPYCJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24IN3/c1-10-8-15(9-11(2)14(10)3)12-4-6-16(13)7-5-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine?
4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine has a molecular weight of 337.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine is sourced from PubChem (CID 167014766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).