7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane

C17H30FIN2 — CID 176563302

IUPAC7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC(F)(CN2CCC3(CC2)CC(I)C3)CC1
InChIInChI=1S/C17H30FIN2/c1-14(2)21-9-5-17(18,6-10-21)13-20-7-3-16(4-8-20)11-15(19)12-16/h14-15H,3-13H2,1-2H3
InChIKeyRJSBGNMPJCWFAH-UHFFFAOYSA-N
MW408.34 g/mol
LogP3.88
Rot. Bonds3

About 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane

7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane (PubChem CID 176563302) has the molecular formula C17H30FIN2 and a molecular weight of 408.34 g/mol. Its IUPAC name is 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
PubChem CID176563302
Molecular FormulaC17H30FIN2
Molecular Weight408.34 g/mol
Exact Mass408.14
IUPAC Name7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC(F)(CN2CCC3(CC2)CC(I)C3)CC1
InChIInChI=1S/C17H30FIN2/c1-14(2)21-9-5-17(18,6-10-21)13-20-7-3-16(4-8-20)11-15(19)12-16/h14-15H,3-13H2,1-2H3
InChIKeyRJSBGNMPJCWFAH-UHFFFAOYSA-N
XLogP3.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 53.88
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'}

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Related Compounds

6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
CID 176562277
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 166113547
9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171748190
ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 170581774
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane (CID 176563302) is 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane is CC(C)N1CCC(F)(CN2CCC3(CC2)CC(I)C3)CC1.
What is the InChIKey of 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane?
The InChIKey is RJSBGNMPJCWFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FIN2/c1-14(2)21-9-5-17(18,6-10-21)13-20-7-3-16(4-8-20)11-15(19)12-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane?
7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane has a molecular weight of 408.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane is sourced from PubChem (CID 176563302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).