2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane

C24H35FN4OSi — CID 140838240

IUPAC2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ncccc2c2ccc(N3CCC(CCCF)CC3)nc21
InChIInChI=1S/C24H35FN4OSi/c1-31(2,3)17-16-30-18-29-23-20(7-5-13-26-23)21-8-9-22(27-24(21)29)28-14-10-19(11-15-28)6-4-12-25/h5,7-9,13,19H,4,6,10-12,14-18H2,1-3H3
InChIKeyBUTHLGCDLPZJJK-UHFFFAOYSA-N
MW442.66 g/mol
LogP5.86
Rot. Bonds9

About 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane

2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140838240) has the molecular formula C24H35FN4OSi and a molecular weight of 442.66 g/mol. Its IUPAC name is 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane
PubChem CID140838240
Molecular FormulaC24H35FN4OSi
Molecular Weight442.66 g/mol
Exact Mass442.26
IUPAC Name2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ncccc2c2ccc(N3CCC(CCCF)CC3)nc21
InChIInChI=1S/C24H35FN4OSi/c1-31(2,3)17-16-30-18-29-23-20(7-5-13-26-23)21-8-9-22(27-24(21)29)28-14-10-19(11-15-28)6-4-12-25/h5,7-9,13,19H,4,6,10-12,14-18H2,1-3H3
InChIKeyBUTHLGCDLPZJJK-UHFFFAOYSA-N
XLogP5.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.66
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane (CID 140838240) is 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c2ncccc2c2ccc(N3CCC(CCCF)CC3)nc21.
What is the InChIKey of 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BUTHLGCDLPZJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4OSi/c1-31(2,3)17-16-30-18-29-23-20(7-5-13-26-23)21-8-9-22(27-24(21)29)28-14-10-19(11-15-28)6-4-12-25/h5,7-9,13,19H,4,6,10-12,14-18H2,1-3H3.
What are the key properties of 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 442.66 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(3-fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140838240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).