hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane

C22H31NOSi — CID 171400301

IUPAChydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane
SMILESCC(C)(CCC1CCNCC1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NOSi/c1-22(2,16-13-19-14-17-23-18-15-19)25(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23-24H,13-18H2,1-2H3
InChIKeyWSIJZSQHNYMMAN-UHFFFAOYSA-N
MW353.58 g/mol
LogP3.30
Rot. Bonds6

About hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane

hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane (PubChem CID 171400301) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane.

Molecular Properties

Compound Namehydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane
PubChem CID171400301
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Namehydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane
SMILESCC(C)(CCC1CCNCC1)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NOSi/c1-22(2,16-13-19-14-17-23-18-15-19)25(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23-24H,13-18H2,1-2H3
InChIKeyWSIJZSQHNYMMAN-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane
CID 90132778
N-(2-piperidin-4-ylethyl)aniline
CID 4778278
5-[hydroxy(diphenyl)silyl]-5-methyl-1-sulfanylhexan-2-ol
CID 89193381
N-benzyl-2-methylpropan-2-amine;piperidin-4-amine
CID 158253019
6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol
CID 89032425
N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide
CID 61029465
(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-8-en-1-ol
CID 90132776
hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane
CID 88918102
benzyl (4R,5S)-4-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 71002734
(2R,3S,4S,4aR)-4-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-amine
CID 90290066
piperidin-4-amine;toluene;hydrate;dihydrochloride
CID 174417321
1-phenyl-1-piperidin-4-ylethanol
CID 54545036

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane?
The IUPAC name of hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane (CID 171400301) is hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane.
What is the SMILES notation for hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane?
The canonical SMILES for hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane is CC(C)(CCC1CCNCC1)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane?
The InChIKey is WSIJZSQHNYMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NOSi/c1-22(2,16-13-19-14-17-23-18-15-19)25(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,23-24H,13-18H2,1-2H3.
What are the key properties of hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane?
hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane has a molecular weight of 353.58 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane is sourced from PubChem (CID 171400301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).