2,2-diethyl-1-phenylpiperidine;silicic acid

C15H27NO4Si — CID 174910760

IUPAC2,2-diethyl-1-phenylpiperidine;silicic acid
SMILESCCC1(CC)CCCCN1c1ccccc1.O[Si](O)(O)O
InChIInChI=1S/C15H23N.H4O4Si/c1-3-15(4-2)12-8-9-13-16(15)14-10-6-5-7-11-14;1-5(2,3)4/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3;1-4H
InChIKeyPKWOVIMKYMRHNI-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.63
Rot. Bonds3

About 2,2-diethyl-1-phenylpiperidine;silicic acid

2,2-diethyl-1-phenylpiperidine;silicic acid (PubChem CID 174910760) has the molecular formula C15H27NO4Si and a molecular weight of 313.47 g/mol. Its IUPAC name is 2,2-diethyl-1-phenylpiperidine;silicic acid.

Molecular Properties

Compound Name2,2-diethyl-1-phenylpiperidine;silicic acid
PubChem CID174910760
Molecular FormulaC15H27NO4Si
Molecular Weight313.47 g/mol
Exact Mass313.17
IUPAC Name2,2-diethyl-1-phenylpiperidine;silicic acid
SMILESCCC1(CC)CCCCN1c1ccccc1.O[Si](O)(O)O
InChIInChI=1S/C15H23N.H4O4Si/c1-3-15(4-2)12-8-9-13-16(15)14-10-6-5-7-11-14;1-5(2,3)4/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3;1-4H
InChIKeyPKWOVIMKYMRHNI-UHFFFAOYSA-N
XLogP1.63
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-phenylpiperidine;silicic acid?
The IUPAC name of 2,2-diethyl-1-phenylpiperidine;silicic acid (CID 174910760) is 2,2-diethyl-1-phenylpiperidine;silicic acid.
What is the SMILES notation for 2,2-diethyl-1-phenylpiperidine;silicic acid?
The canonical SMILES for 2,2-diethyl-1-phenylpiperidine;silicic acid is CCC1(CC)CCCCN1c1ccccc1.O[Si](O)(O)O.
What is the InChIKey of 2,2-diethyl-1-phenylpiperidine;silicic acid?
The InChIKey is PKWOVIMKYMRHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.H4O4Si/c1-3-15(4-2)12-8-9-13-16(15)14-10-6-5-7-11-14;1-5(2,3)4/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3;1-4H.
What are the key properties of 2,2-diethyl-1-phenylpiperidine;silicic acid?
2,2-diethyl-1-phenylpiperidine;silicic acid has a molecular weight of 313.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-phenylpiperidine;silicic acid is sourced from PubChem (CID 174910760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).