3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol

C28H37NO2Si — CID 139782134

IUPAC3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol
SMILESCC(C)(C)c1ccc2cc(-c3ccc(C4(O)CCCNC4)cc3)ccc2c1O[Si](C)(C)C
InChIInChI=1S/C28H37NO2Si/c1-27(2,3)25-15-11-22-18-21(10-14-24(22)26(25)31-32(4,5)6)20-8-12-23(13-9-20)28(30)16-7-17-29-19-28/h8-15,18,29-30H,7,16-17,19H2,1-6H3
InChIKeyCHZDJFBVYAEXGX-UHFFFAOYSA-N
MW447.70 g/mol
LogP6.59
Rot. Bonds4

About 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol

3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol (PubChem CID 139782134) has the molecular formula C28H37NO2Si and a molecular weight of 447.70 g/mol. Its IUPAC name is 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol
PubChem CID139782134
Molecular FormulaC28H37NO2Si
Molecular Weight447.70 g/mol
Exact Mass447.26
IUPAC Name3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol
SMILESCC(C)(C)c1ccc2cc(-c3ccc(C4(O)CCCNC4)cc3)ccc2c1O[Si](C)(C)C
InChIInChI=1S/C28H37NO2Si/c1-27(2,3)25-15-11-22-18-21(10-14-24(22)26(25)31-32(4,5)6)20-8-12-23(13-9-20)28(30)16-7-17-29-19-28/h8-15,18,29-30H,7,16-17,19H2,1-6H3
InChIKeyCHZDJFBVYAEXGX-UHFFFAOYSA-N
XLogP6.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.70
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol?
The IUPAC name of 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol (CID 139782134) is 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol.
What is the SMILES notation for 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol?
The canonical SMILES for 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol is CC(C)(C)c1ccc2cc(-c3ccc(C4(O)CCCNC4)cc3)ccc2c1O[Si](C)(C)C.
What is the InChIKey of 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol?
The InChIKey is CHZDJFBVYAEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO2Si/c1-27(2,3)25-15-11-22-18-21(10-14-24(22)26(25)31-32(4,5)6)20-8-12-23(13-9-20)28(30)16-7-17-29-19-28/h8-15,18,29-30H,7,16-17,19H2,1-6H3.
What are the key properties of 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol?
3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol has a molecular weight of 447.70 g/mol, XLogP of 6.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-tert-butyl-5-trimethylsilyloxynaphthalen-2-yl)phenyl]piperidin-3-ol is sourced from PubChem (CID 139782134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).