11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane

C16H23IN2 — CID 64943004

IUPAC11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
SMILESIc1ccc(N2CCCNC3(CCCCC3)C2)cc1
InChIInChI=1S/C16H23IN2/c17-14-5-7-15(8-6-14)19-12-4-11-18-16(13-19)9-2-1-3-10-16/h5-8,18H,1-4,9-13H2
InChIKeyOOUMGIBWVJOTNE-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.79
Rot. Bonds1

About 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane

11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 64943004) has the molecular formula C16H23IN2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID64943004
Molecular FormulaC16H23IN2
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
SMILESIc1ccc(N2CCCNC3(CCCCC3)C2)cc1
InChIInChI=1S/C16H23IN2/c17-14-5-7-15(8-6-14)19-12-4-11-18-16(13-19)9-2-1-3-10-16/h5-8,18H,1-4,9-13H2
InChIKeyOOUMGIBWVJOTNE-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-pyridin-3-yl-7,11-diazaspiro[5.6]dodecane
CID 64941322
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
CID 114840945
10-(4-bromo-2-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64943983
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049
9-(2,3-dihydro-1H-inden-5-yl)-6,9-diazaspiro[4.5]decane
CID 64926161
9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane
CID 64952940
7-phenyl-4,7-diazaspiro[2.5]octane
CID 146100859
11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane
CID 64951580
11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
CID 64944299
10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107646279

Frequently Asked Questions

What is the IUPAC name of 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane (CID 64943004) is 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane is Ic1ccc(N2CCCNC3(CCCCC3)C2)cc1.
What is the InChIKey of 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is OOUMGIBWVJOTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IN2/c17-14-5-7-15(8-6-14)19-12-4-11-18-16(13-19)9-2-1-3-10-16/h5-8,18H,1-4,9-13H2.
What are the key properties of 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane?
11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane has a molecular weight of 370.28 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64943004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).