(2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol

C8H15NO2 — CID 130754236

IUPAC(2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol
SMILESC=CC[C@@H]1NC[C@@H](O)C[C@@H]1O
InChIInChI=1S/C8H15NO2/c1-2-3-7-8(11)4-6(10)5-9-7/h2,6-11H,1,3-5H2/t6-,7-,8-/m0/s1
InChIKeyYCVZLTVAEXXPKT-FXQIFTODSA-N
MW157.21 g/mol
LogP-0.35
Rot. Bonds2

About (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol

(2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol (PubChem CID 130754236) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol.

Molecular Properties

Compound Name(2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol
PubChem CID130754236
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol
SMILESC=CC[C@@H]1NC[C@@H](O)C[C@@H]1O
InChIInChI=1S/C8H15NO2/c1-2-3-7-8(11)4-6(10)5-9-7/h2,6-11H,1,3-5H2/t6-,7-,8-/m0/s1
InChIKeyYCVZLTVAEXXPKT-FXQIFTODSA-N
XLogP-0.35
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol?
The IUPAC name of (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol (CID 130754236) is (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol.
What is the SMILES notation for (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol?
The canonical SMILES for (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol is C=CC[C@@H]1NC[C@@H](O)C[C@@H]1O.
What is the InChIKey of (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol?
The InChIKey is YCVZLTVAEXXPKT-FXQIFTODSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-7-8(11)4-6(10)5-9-7/h2,6-11H,1,3-5H2/t6-,7-,8-/m0/s1.
What are the key properties of (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol?
(2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol has a molecular weight of 157.21 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2-prop-2-enylpiperidine-3,5-diol is sourced from PubChem (CID 130754236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).