hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane

C21H30NOSi+ — CID 12518949

IUPAChydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane
SMILESC[N+]1(CCC[Si](O)(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C21H30NOSi/c1-22(16-9-4-10-17-22)18-11-19-24(23,20-12-5-2-6-13-20)21-14-7-3-8-15-21/h2-3,5-8,12-15,23H,4,9-11,16-19H2,1H3/q+1
InChIKeyTXRNUDQULOWJKV-UHFFFAOYSA-N
MW340.56 g/mol
LogP2.76
Rot. Bonds6

About hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane

hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane (PubChem CID 12518949) has the molecular formula C21H30NOSi+ and a molecular weight of 340.56 g/mol. Its IUPAC name is hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane.

Molecular Properties

Compound Namehydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane
PubChem CID12518949
Molecular FormulaC21H30NOSi+
Molecular Weight340.56 g/mol
Exact Mass340.21
IUPAC Namehydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane
SMILESC[N+]1(CCC[Si](O)(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C21H30NOSi/c1-22(16-9-4-10-17-22)18-11-19-24(23,20-12-5-2-6-13-20)21-14-7-3-8-15-21/h2-3,5-8,12-15,23H,4,9-11,16-19H2,1H3/q+1
InChIKeyTXRNUDQULOWJKV-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[cyclohexyl-[2-(1-methylazepan-1-ium-1-yl)ethyl]-phenylsilyl]methanol
CID 10051146
hydroxy-diphenyl-(3-trimethylstannylpropyl)silane
CID 11475218
[3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol
CID 10414518
3-[hydroxy(diphenyl)silyl]propan-1-amine
CID 164773913
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
CID 3048054
2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane
CID 71326153
1-(3,3-diphenylpropyl)-1-methylpyrrolidin-1-ium
CID 3031608
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
hydroxy-diphenyl-(2-pyrrolidin-1-ylethyl)silane
CID 12539433
1-benzyl-1-methylpiperidin-1-ium perchlorate
CID 71388575
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
CID 71609443
CID 71609443

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane?
The IUPAC name of hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane (CID 12518949) is hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane.
What is the SMILES notation for hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane?
The canonical SMILES for hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane is C[N+]1(CCC[Si](O)(c2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane?
The InChIKey is TXRNUDQULOWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30NOSi/c1-22(16-9-4-10-17-22)18-11-19-24(23,20-12-5-2-6-13-20)21-14-7-3-8-15-21/h2-3,5-8,12-15,23H,4,9-11,16-19H2,1H3/q+1.
What are the key properties of hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane?
hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane has a molecular weight of 340.56 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane is sourced from PubChem (CID 12518949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).