1,2,2-triethylpiperidine;hydrate

C11H25NO — CID 175130909

IUPAC1,2,2-triethylpiperidine;hydrate
SMILESCCN1CCCCC1(CC)CC.O
InChIInChI=1S/C11H23N.H2O/c1-4-11(5-2)9-7-8-10-12(11)6-3;/h4-10H2,1-3H3;1H2
InChIKeyXJUZETCXOIGCSN-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.23
Rot. Bonds3

About 1,2,2-triethylpiperidine;hydrate

1,2,2-triethylpiperidine;hydrate (PubChem CID 175130909) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1,2,2-triethylpiperidine;hydrate.

Molecular Properties

Compound Name1,2,2-triethylpiperidine;hydrate
PubChem CID175130909
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1,2,2-triethylpiperidine;hydrate
SMILESCCN1CCCCC1(CC)CC.O
InChIInChI=1S/C11H23N.H2O/c1-4-11(5-2)9-7-8-10-12(11)6-3;/h4-10H2,1-3H3;1H2
InChIKeyXJUZETCXOIGCSN-UHFFFAOYSA-N
XLogP2.23
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-triethylpiperidine;hydrate?
The IUPAC name of 1,2,2-triethylpiperidine;hydrate (CID 175130909) is 1,2,2-triethylpiperidine;hydrate.
What is the SMILES notation for 1,2,2-triethylpiperidine;hydrate?
The canonical SMILES for 1,2,2-triethylpiperidine;hydrate is CCN1CCCCC1(CC)CC.O.
What is the InChIKey of 1,2,2-triethylpiperidine;hydrate?
The InChIKey is XJUZETCXOIGCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.H2O/c1-4-11(5-2)9-7-8-10-12(11)6-3;/h4-10H2,1-3H3;1H2.
What are the key properties of 1,2,2-triethylpiperidine;hydrate?
1,2,2-triethylpiperidine;hydrate has a molecular weight of 187.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-triethylpiperidine;hydrate is sourced from PubChem (CID 175130909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).