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

C14H25NO3 — CID 166834250

IUPAC(3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol
SMILESC=CC1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1
InChIInChI=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/t10?,11?,12-,13+,14?
InChIKeyPTQXXYFTQLHSGL-LJZITESISA-N
MW255.36 g/mol
LogP0.38
Rot. Bonds3

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

(3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol (PubChem CID 166834250) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol
PubChem CID166834250
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol
SMILESC=CC1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1
InChIInChI=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/t10?,11?,12-,13+,14?
InChIKeyPTQXXYFTQLHSGL-LJZITESISA-N
XLogP0.38
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol (CID 166834250) is (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol is C=CC1CCC(CN2C[C@@H](O)C(O)[C@@H](O)C2)CC1.
What is the InChIKey of (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol?
The InChIKey is PTQXXYFTQLHSGL-LJZITESISA-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/t10?,11?,12-,13+,14?.
What are the key properties of (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol?
(3R,5S)-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 (3R,5S)-1-[(4-ethenylcyclohexyl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 166834250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).