trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane

C22H31NOSi — CID 22856761

IUPACtrimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane
SMILESCc1cc(CO[C@@H]2CCCNC2c2ccccc2)cc([Si](C)(C)C)c1
InChIInChI=1S/C22H31NOSi/c1-17-13-18(15-20(14-17)25(2,3)4)16-24-21-11-8-12-23-22(21)19-9-6-5-7-10-19/h5-7,9-10,13-15,21-23H,8,11-12,16H2,1-4H3/t21-,22?/m1/s1
InChIKeyYYXXQWXZGPKTMX-ZMFCMNQTSA-N
MW353.58 g/mol
LogP4.55
Rot. Bonds5

About trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane

trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane (PubChem CID 22856761) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane
PubChem CID22856761
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Nametrimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane
SMILESCc1cc(CO[C@@H]2CCCNC2c2ccccc2)cc([Si](C)(C)C)c1
InChIInChI=1S/C22H31NOSi/c1-17-13-18(15-20(14-17)25(2,3)4)16-24-21-11-8-12-23-22(21)19-9-6-5-7-10-19/h5-7,9-10,13-15,21-23H,8,11-12,16H2,1-4H3/t21-,22?/m1/s1
InChIKeyYYXXQWXZGPKTMX-ZMFCMNQTSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane?
The IUPAC name of trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane (CID 22856761) is trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane.
What is the SMILES notation for trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane?
The canonical SMILES for trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane is Cc1cc(CO[C@@H]2CCCNC2c2ccccc2)cc([Si](C)(C)C)c1.
What is the InChIKey of trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane?
The InChIKey is YYXXQWXZGPKTMX-ZMFCMNQTSA-N. The full InChI is InChI=1S/C22H31NOSi/c1-17-13-18(15-20(14-17)25(2,3)4)16-24-21-11-8-12-23-22(21)19-9-6-5-7-10-19/h5-7,9-10,13-15,21-23H,8,11-12,16H2,1-4H3/t21-,22?/m1/s1.
What are the key properties of trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane?
trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane has a molecular weight of 353.58 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-5-[[(2R,3R)-2-phenylpiperidin-3-yl]oxymethyl]phenyl]silane is sourced from PubChem (CID 22856761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).