tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane

C26H39NO2Si — CID 20607368

IUPACtert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane
SMILESCOc1cccc(CN2CCC(CO[Si](C)(C)C(C)(C)C)(c3ccccc3)CC2)c1
InChIInChI=1S/C26H39NO2Si/c1-25(2,3)30(5,6)29-21-26(23-12-8-7-9-13-23)15-17-27(18-16-26)20-22-11-10-14-24(19-22)28-4/h7-14,19H,15-18,20-21H2,1-6H3
InChIKeyWTXLFFXEIGBWSM-UHFFFAOYSA-N
MW425.69 g/mol
LogP6.25
Rot. Bonds7

About tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane

tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane (PubChem CID 20607368) has the molecular formula C26H39NO2Si and a molecular weight of 425.69 g/mol. Its IUPAC name is tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane
PubChem CID20607368
Molecular FormulaC26H39NO2Si
Molecular Weight425.69 g/mol
Exact Mass425.28
IUPAC Nametert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane
SMILESCOc1cccc(CN2CCC(CO[Si](C)(C)C(C)(C)C)(c3ccccc3)CC2)c1
InChIInChI=1S/C26H39NO2Si/c1-25(2,3)30(5,6)29-21-26(23-12-8-7-9-13-23)15-17-27(18-16-26)20-22-11-10-14-24(19-22)28-4/h7-14,19H,15-18,20-21H2,1-6H3
InChIKeyWTXLFFXEIGBWSM-UHFFFAOYSA-N
XLogP6.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.69
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
CID 57241703
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane (CID 20607368) is tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane is COc1cccc(CN2CCC(CO[Si](C)(C)C(C)(C)C)(c3ccccc3)CC2)c1.
What is the InChIKey of tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane?
The InChIKey is WTXLFFXEIGBWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2Si/c1-25(2,3)30(5,6)29-21-26(23-12-8-7-9-13-23)15-17-27(18-16-26)20-22-11-10-14-24(19-22)28-4/h7-14,19H,15-18,20-21H2,1-6H3.
What are the key properties of tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane has a molecular weight of 425.69 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 20607368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).