5-hexyl-4-propan-2-yloxypiperidin-3-amine

C14H30N2O — CID 134321983

IUPAC5-hexyl-4-propan-2-yloxypiperidin-3-amine
SMILESCCCCCCC1CNCC(N)C1OC(C)C
InChIInChI=1S/C14H30N2O/c1-4-5-6-7-8-12-9-16-10-13(15)14(12)17-11(2)3/h11-14,16H,4-10,15H2,1-3H3
InChIKeyCSJWNDHMBLNQLO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.30
Rot. Bonds7

About 5-hexyl-4-propan-2-yloxypiperidin-3-amine

5-hexyl-4-propan-2-yloxypiperidin-3-amine (PubChem CID 134321983) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-hexyl-4-propan-2-yloxypiperidin-3-amine.

Molecular Properties

Compound Name5-hexyl-4-propan-2-yloxypiperidin-3-amine
PubChem CID134321983
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-hexyl-4-propan-2-yloxypiperidin-3-amine
SMILESCCCCCCC1CNCC(N)C1OC(C)C
InChIInChI=1S/C14H30N2O/c1-4-5-6-7-8-12-9-16-10-13(15)14(12)17-11(2)3/h11-14,16H,4-10,15H2,1-3H3
InChIKeyCSJWNDHMBLNQLO-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hexyl-4-propan-2-yloxypiperidin-3-amine 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 5-hexyl-4-propan-2-yloxypiperidin-3-amine?
The IUPAC name of 5-hexyl-4-propan-2-yloxypiperidin-3-amine (CID 134321983) is 5-hexyl-4-propan-2-yloxypiperidin-3-amine.
What is the SMILES notation for 5-hexyl-4-propan-2-yloxypiperidin-3-amine?
The canonical SMILES for 5-hexyl-4-propan-2-yloxypiperidin-3-amine is CCCCCCC1CNCC(N)C1OC(C)C.
What is the InChIKey of 5-hexyl-4-propan-2-yloxypiperidin-3-amine?
The InChIKey is CSJWNDHMBLNQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-5-6-7-8-12-9-16-10-13(15)14(12)17-11(2)3/h11-14,16H,4-10,15H2,1-3H3.
What are the key properties of 5-hexyl-4-propan-2-yloxypiperidin-3-amine?
5-hexyl-4-propan-2-yloxypiperidin-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-4-propan-2-yloxypiperidin-3-amine is sourced from PubChem (CID 134321983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).