1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol

C₁₄H₂₅NO₃ — CID 157039022

About 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol

1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol (PubChem CID 157039022) has the molecular formula C₁₄H₂₅NO₃ and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol.

Molecular Properties

• Compound Name: 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol
• PubChem CID: 157039022
• Molecular Formula: C₁₄H₂₅NO₃
• Molecular Weight: 255.36 g/mol
• Exact Mass: 255.18
• IUPAC Name: 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol
• SMILES: C=CC1CCC(CN2CC(O)C(O)C(O)C2)CC1
• InChI: InChI=1S/C14H25NO3/c1-2-10-3-5-11(6-4-10)7-15-8-12(16)14(18)13(17)9-15/h2,10-14,16-18H,1,3-9H2
• InChIKey: PTQXXYFTQLHSGL-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 63.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.36
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol?

The IUPAC name of 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol (CID 157039022) is 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol.

What is the SMILES notation for 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol?

The canonical SMILES for 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol is C=CC1CCC(CN2CC(O)C(O)C(O)C2)CC1.

What is the InChIKey of 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol?

The InChIKey is PTQXXYFTQLHSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-10-3-5-11(6-4-10)7-15-8-12(16)14(18)13(17)9-15/h2,10-14,16-18H,1,3-9H2.

What are the key properties of 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol?

1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol has a molecular weight of 255.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157039022 — identifiers, structure, computed properties (public domain)

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