1-(1-iodo-2-adamantyl)piperazine

C14H23IN2 — CID 66895914

IUPAC1-(1-iodo-2-adamantyl)piperazine
SMILESIC12CC3CC(CC(C3)C1N1CCNCC1)C2
InChIInChI=1S/C14H23IN2/c15-14-8-10-5-11(9-14)7-12(6-10)13(14)17-3-1-16-2-4-17/h10-13,16H,1-9H2
InChIKeyMTXABNYMOLIWTL-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.27
Rot. Bonds1

About 1-(1-iodo-2-adamantyl)piperazine

1-(1-iodo-2-adamantyl)piperazine (PubChem CID 66895914) has the molecular formula C14H23IN2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 1-(1-iodo-2-adamantyl)piperazine.

Molecular Properties

Compound Name1-(1-iodo-2-adamantyl)piperazine
PubChem CID66895914
Molecular FormulaC14H23IN2
Molecular Weight346.26 g/mol
Exact Mass346.09
IUPAC Name1-(1-iodo-2-adamantyl)piperazine
SMILESIC12CC3CC(CC(C3)C1N1CCNCC1)C2
InChIInChI=1S/C14H23IN2/c15-14-8-10-5-11(9-14)7-12(6-10)13(14)17-3-1-16-2-4-17/h10-13,16H,1-9H2
InChIKeyMTXABNYMOLIWTL-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-(1-adamantyl)-
CID 35373
N1-(adamantan-2-yl)ethane-1,2-diamine
CID 22315744
1-(1-Adamantylmethyl)piperazine
CID 3716210
1-(2-Adamantyl)-4-methylpiperazine dihydrochloride
CID 867254
1-(2-Adamantyl)piperazine
CID 4599242
N-2-adamantyl-1-methyl-4-piperidinamine
CID 782009
N-2-adamantyl-1-ethyl-4-piperidinamine
CID 782048
N-2-adamantyl-1-propyl-4-piperidinamine
CID 782242
3-(2-Adamantylaminomethyl)-1-methylpiperidine
CID 375080
2-(1-Adamantyl)piperazine
CID 16659150
1-Adamantyl-methyl-piperazine
CID 44430191
2-Adamantyl[2-(1-piperidinyl)ethyl]amine
CID 759986

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodo-2-adamantyl)piperazine?
The IUPAC name of 1-(1-iodo-2-adamantyl)piperazine (CID 66895914) is 1-(1-iodo-2-adamantyl)piperazine.
What is the SMILES notation for 1-(1-iodo-2-adamantyl)piperazine?
The canonical SMILES for 1-(1-iodo-2-adamantyl)piperazine is IC12CC3CC(CC(C3)C1N1CCNCC1)C2.
What is the InChIKey of 1-(1-iodo-2-adamantyl)piperazine?
The InChIKey is MTXABNYMOLIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN2/c15-14-8-10-5-11(9-14)7-12(6-10)13(14)17-3-1-16-2-4-17/h10-13,16H,1-9H2.
What are the key properties of 1-(1-iodo-2-adamantyl)piperazine?
1-(1-iodo-2-adamantyl)piperazine has a molecular weight of 346.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodo-2-adamantyl)piperazine is sourced from PubChem (CID 66895914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).