3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline

C34H49N3Si2 — CID 152500408

IUPAC3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline
SMILESC[Si](C)(C)c1ccc(C2CCN(c3cc(N)cc(N4CCC(c5ccc([Si](C)(C)C)cc5)CC4)c3)CC2)cc1
InChIInChI=1S/C34H49N3Si2/c1-38(2,3)33-11-7-26(8-12-33)28-15-19-36(20-16-28)31-23-30(35)24-32(25-31)37-21-17-29(18-22-37)27-9-13-34(14-10-27)39(4,5)6/h7-14,23-25,28-29H,15-22,35H2,1-6H3
InChIKeyYDIPPYSSLXRVCJ-UHFFFAOYSA-N
MW555.96 g/mol
LogP7.13
Rot. Bonds6

About 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline

3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline (PubChem CID 152500408) has the molecular formula C34H49N3Si2 and a molecular weight of 555.96 g/mol. Its IUPAC name is 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline.

Molecular Properties

Compound Name3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline
PubChem CID152500408
Molecular FormulaC34H49N3Si2
Molecular Weight555.96 g/mol
Exact Mass555.35
IUPAC Name3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline
SMILESC[Si](C)(C)c1ccc(C2CCN(c3cc(N)cc(N4CCC(c5ccc([Si](C)(C)C)cc5)CC4)c3)CC2)cc1
InChIInChI=1S/C34H49N3Si2/c1-38(2,3)33-11-7-26(8-12-33)28-15-19-36(20-16-28)31-23-30(35)24-32(25-31)37-21-17-29(18-22-37)27-9-13-34(14-10-27)39(4,5)6/h7-14,23-25,28-29H,15-22,35H2,1-6H3
InChIKeyYDIPPYSSLXRVCJ-UHFFFAOYSA-N
XLogP7.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.96
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline?
The IUPAC name of 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline (CID 152500408) is 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline.
What is the SMILES notation for 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline?
The canonical SMILES for 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline is C[Si](C)(C)c1ccc(C2CCN(c3cc(N)cc(N4CCC(c5ccc([Si](C)(C)C)cc5)CC4)c3)CC2)cc1.
What is the InChIKey of 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline?
The InChIKey is YDIPPYSSLXRVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N3Si2/c1-38(2,3)33-11-7-26(8-12-33)28-15-19-36(20-16-28)31-23-30(35)24-32(25-31)37-21-17-29(18-22-37)27-9-13-34(14-10-27)39(4,5)6/h7-14,23-25,28-29H,15-22,35H2,1-6H3.
What are the key properties of 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline?
3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline has a molecular weight of 555.96 g/mol, XLogP of 7.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(4-trimethylsilylphenyl)piperidin-1-yl]aniline is sourced from PubChem (CID 152500408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).