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

C15H33NO — CID 175068632

IUPAC1,2-diethyl-3,5-dipropylpiperidine;hydrate
SMILESCCCC1CC(CCC)C(CC)N(CC)C1.O
InChIInChI=1S/C15H31N.H2O/c1-5-9-13-11-14(10-6-2)15(7-3)16(8-4)12-13;/h13-15H,5-12H2,1-4H3;1H2
InChIKeyGWVNPWNKNSGUIH-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.50
Rot. Bonds6

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

1,2-diethyl-3,5-dipropylpiperidine;hydrate (PubChem CID 175068632) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 1,2-diethyl-3,5-dipropylpiperidine;hydrate.

Molecular Properties

Compound Name1,2-diethyl-3,5-dipropylpiperidine;hydrate
PubChem CID175068632
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name1,2-diethyl-3,5-dipropylpiperidine;hydrate
SMILESCCCC1CC(CCC)C(CC)N(CC)C1.O
InChIInChI=1S/C15H31N.H2O/c1-5-9-13-11-14(10-6-2)15(7-3)16(8-4)12-13;/h13-15H,5-12H2,1-4H3;1H2
InChIKeyGWVNPWNKNSGUIH-UHFFFAOYSA-N
XLogP3.50
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-diethyl-3,5-dipropylpiperidine;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-dipropylpiperidine;hydrate?
The IUPAC name of 1,2-diethyl-3,5-dipropylpiperidine;hydrate (CID 175068632) is 1,2-diethyl-3,5-dipropylpiperidine;hydrate.
What is the SMILES notation for 1,2-diethyl-3,5-dipropylpiperidine;hydrate?
The canonical SMILES for 1,2-diethyl-3,5-dipropylpiperidine;hydrate is CCCC1CC(CCC)C(CC)N(CC)C1.O.
What is the InChIKey of 1,2-diethyl-3,5-dipropylpiperidine;hydrate?
The InChIKey is GWVNPWNKNSGUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.H2O/c1-5-9-13-11-14(10-6-2)15(7-3)16(8-4)12-13;/h13-15H,5-12H2,1-4H3;1H2.
What are the key properties of 1,2-diethyl-3,5-dipropylpiperidine;hydrate?
1,2-diethyl-3,5-dipropylpiperidine;hydrate has a molecular weight of 243.43 g/mol, XLogP of 3.50, 6 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-dipropylpiperidine;hydrate is sourced from PubChem (CID 175068632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).