2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane

C20H27NOSi — CID 71326153

IUPAC2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane
SMILESO[Si](CCN1CCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NOSi/c22-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)18-17-21-15-9-1-2-10-16-21/h3-8,11-14,22H,1-2,9-10,15-18H2
InChIKeyMYDMAZCRYDTTGL-UHFFFAOYSA-N
MW325.53 g/mol
LogP2.61
Rot. Bonds5

About 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane

2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane (PubChem CID 71326153) has the molecular formula C20H27NOSi and a molecular weight of 325.53 g/mol. Its IUPAC name is 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane.

Molecular Properties

Compound Name2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane
PubChem CID71326153
Molecular FormulaC20H27NOSi
Molecular Weight325.53 g/mol
Exact Mass325.19
IUPAC Name2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane
SMILESO[Si](CCN1CCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NOSi/c22-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)18-17-21-15-9-1-2-10-16-21/h3-8,11-14,22H,1-2,9-10,15-18H2
InChIKeyMYDMAZCRYDTTGL-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[cyclohexyl-phenyl-(2-pyrrolidin-1-ylethyl)silyl]methanol
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1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
1-(6,6-diphenylhexyl)piperidine
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N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
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1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
1-benzylazepane
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1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane?
The IUPAC name of 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane (CID 71326153) is 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane.
What is the SMILES notation for 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane?
The canonical SMILES for 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane is O[Si](CCN1CCCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane?
The InChIKey is MYDMAZCRYDTTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NOSi/c22-23(19-11-5-3-6-12-19,20-13-7-4-8-14-20)18-17-21-15-9-1-2-10-16-21/h3-8,11-14,22H,1-2,9-10,15-18H2.
What are the key properties of 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane?
2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane has a molecular weight of 325.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)ethyl-hydroxy-diphenylsilane is sourced from PubChem (CID 71326153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).