butyl-dimethoxy-(4-methylpiperidin-1-yl)silane

C12H27NO2Si — CID 57039576

IUPACbutyl-dimethoxy-(4-methylpiperidin-1-yl)silane
SMILESCCCC[Si](OC)(OC)N1CCC(C)CC1
InChIInChI=1S/C12H27NO2Si/c1-5-6-11-16(14-3,15-4)13-9-7-12(2)8-10-13/h12H,5-11H2,1-4H3
InChIKeyVWPOZSAZCCXKBH-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.75
Rot. Bonds6

About butyl-dimethoxy-(4-methylpiperidin-1-yl)silane

butyl-dimethoxy-(4-methylpiperidin-1-yl)silane (PubChem CID 57039576) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is butyl-dimethoxy-(4-methylpiperidin-1-yl)silane.

Molecular Properties

Compound Namebutyl-dimethoxy-(4-methylpiperidin-1-yl)silane
PubChem CID57039576
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Namebutyl-dimethoxy-(4-methylpiperidin-1-yl)silane
SMILESCCCC[Si](OC)(OC)N1CCC(C)CC1
InChIInChI=1S/C12H27NO2Si/c1-5-6-11-16(14-3,15-4)13-9-7-12(2)8-10-13/h12H,5-11H2,1-4H3
InChIKeyVWPOZSAZCCXKBH-UHFFFAOYSA-N
XLogP2.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.75
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

Dimethoxy-(4-methylpiperidin-1-yl)-(3,3,3-trifluoropropyl)silane
CID 23289146
(2,6-Dimethylpiperidin-1-yl)-dimethoxy-(2-methylpropyl)silane
CID 170851652
Piperidine, 1-(cyclopentyldimethoxysilyl)-
CID 10944637
Trimethoxy(3-piperidin-1-ylpropyl)silane
CID 13581043
trimethoxy-[(2R)-1-propylpiperidin-2-yl]silane
CID 18645172
Trimethoxy(1-piperidin-1-ylpropyl)silane
CID 18967957
3-(3-Ethylpiperidin-1-yl)propyl-trimethoxysilane
CID 19900960
Trimethoxy-[3-(3-methylpiperidin-1-yl)propyl]silane
CID 19900962
Trimethoxy-[3-(4-methylpiperidin-1-yl)propyl]silane
CID 19900967
Trimethoxy-(1-propylpiperidin-2-yl)silane
CID 20058757
Trimethoxy-(4-methylpiperidin-1-yl)silane
CID 22114820
Dimethoxy-(4-methylpiperidin-1-yl)-(2-methylpropyl)silane
CID 22114823

Frequently Asked Questions

What is the IUPAC name of butyl-dimethoxy-(4-methylpiperidin-1-yl)silane?
The IUPAC name of butyl-dimethoxy-(4-methylpiperidin-1-yl)silane (CID 57039576) is butyl-dimethoxy-(4-methylpiperidin-1-yl)silane.
What is the SMILES notation for butyl-dimethoxy-(4-methylpiperidin-1-yl)silane?
The canonical SMILES for butyl-dimethoxy-(4-methylpiperidin-1-yl)silane is CCCC[Si](OC)(OC)N1CCC(C)CC1.
What is the InChIKey of butyl-dimethoxy-(4-methylpiperidin-1-yl)silane?
The InChIKey is VWPOZSAZCCXKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-5-6-11-16(14-3,15-4)13-9-7-12(2)8-10-13/h12H,5-11H2,1-4H3.
What are the key properties of butyl-dimethoxy-(4-methylpiperidin-1-yl)silane?
butyl-dimethoxy-(4-methylpiperidin-1-yl)silane has a molecular weight of 245.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethoxy-(4-methylpiperidin-1-yl)silane is sourced from PubChem (CID 57039576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).