1,2-diethyl-3,5-dimethylpiperidine;hydrate

C11H25NO — CID 174917019

IUPAC1,2-diethyl-3,5-dimethylpiperidine;hydrate
SMILESCCC1C(C)CC(C)CN1CC.O
InChIInChI=1S/C11H23N.H2O/c1-5-11-10(4)7-9(3)8-12(11)6-2;/h9-11H,5-8H2,1-4H3;1H2
InChIKeyBBMXEDGCBMRGGB-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.94
Rot. Bonds2

About 1,2-diethyl-3,5-dimethylpiperidine;hydrate

1,2-diethyl-3,5-dimethylpiperidine;hydrate (PubChem CID 174917019) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 1,2-diethyl-3,5-dimethylpiperidine;hydrate.

Molecular Properties

Compound Name1,2-diethyl-3,5-dimethylpiperidine;hydrate
PubChem CID174917019
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name1,2-diethyl-3,5-dimethylpiperidine;hydrate
SMILESCCC1C(C)CC(C)CN1CC.O
InChIInChI=1S/C11H23N.H2O/c1-5-11-10(4)7-9(3)8-12(11)6-2;/h9-11H,5-8H2,1-4H3;1H2
InChIKeyBBMXEDGCBMRGGB-UHFFFAOYSA-N
XLogP1.94
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-diethyl-3,5-dimethylpiperidine;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3,5-dimethylpiperidine;hydrate?
The IUPAC name of 1,2-diethyl-3,5-dimethylpiperidine;hydrate (CID 174917019) is 1,2-diethyl-3,5-dimethylpiperidine;hydrate.
What is the SMILES notation for 1,2-diethyl-3,5-dimethylpiperidine;hydrate?
The canonical SMILES for 1,2-diethyl-3,5-dimethylpiperidine;hydrate is CCC1C(C)CC(C)CN1CC.O.
What is the InChIKey of 1,2-diethyl-3,5-dimethylpiperidine;hydrate?
The InChIKey is BBMXEDGCBMRGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.H2O/c1-5-11-10(4)7-9(3)8-12(11)6-2;/h9-11H,5-8H2,1-4H3;1H2.
What are the key properties of 1,2-diethyl-3,5-dimethylpiperidine;hydrate?
1,2-diethyl-3,5-dimethylpiperidine;hydrate has a molecular weight of 187.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3,5-dimethylpiperidine;hydrate is sourced from PubChem (CID 174917019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).