1-(4-ethylcyclohexyl)-4-iodopiperazine

C12H23IN2 — CID 166536965

IUPAC1-(4-ethylcyclohexyl)-4-iodopiperazine
SMILESCCC1CCC(N2CCN(I)CC2)CC1
InChIInChI=1S/C12H23IN2/c1-2-11-3-5-12(6-4-11)14-7-9-15(13)10-8-14/h11-12H,2-10H2,1H3
InChIKeyRGHJGYMCTLQHKT-UHFFFAOYSA-N
MW322.23 g/mol
LogP2.92
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-4-iodopiperazine

1-(4-ethylcyclohexyl)-4-iodopiperazine (PubChem CID 166536965) has the molecular formula C12H23IN2 and a molecular weight of 322.23 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-iodopiperazine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-iodopiperazine
PubChem CID166536965
Molecular FormulaC12H23IN2
Molecular Weight322.23 g/mol
Exact Mass322.09
IUPAC Name1-(4-ethylcyclohexyl)-4-iodopiperazine
SMILESCCC1CCC(N2CCN(I)CC2)CC1
InChIInChI=1S/C12H23IN2/c1-2-11-3-5-12(6-4-11)14-7-9-15(13)10-8-14/h11-12H,2-10H2,1H3
InChIKeyRGHJGYMCTLQHKT-UHFFFAOYSA-N
XLogP2.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylpiperidine;ethane
CID 145311489
1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine
CID 130391537
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]propanethioamide
CID 64748292
1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64776099
1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine
CID 66202501
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
1-cyclooctyl-4-ethylpiperidine
CID 166912803
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216
1-(1-iodopiperidin-4-yl)-4-propylpiperazine
CID 170084065
1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
CID 177134711
1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65086223
1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 166946013

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-iodopiperazine?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-iodopiperazine (CID 166536965) is 1-(4-ethylcyclohexyl)-4-iodopiperazine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-iodopiperazine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-iodopiperazine is CCC1CCC(N2CCN(I)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-iodopiperazine?
The InChIKey is RGHJGYMCTLQHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23IN2/c1-2-11-3-5-12(6-4-11)14-7-9-15(13)10-8-14/h11-12H,2-10H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-iodopiperazine?
1-(4-ethylcyclohexyl)-4-iodopiperazine has a molecular weight of 322.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-iodopiperazine is sourced from PubChem (CID 166536965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).