(4S)-3-methylidenepiperidin-4-ol

C6H11NO — CID 89107509

IUPAC(4S)-3-methylidenepiperidin-4-ol
SMILESC=C1CNCC[C@@H]1O
InChIInChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h6-8H,1-4H2/t6-/m0/s1
InChIKeyQJWUERDITRHVET-LURJTMIESA-N
MW113.16 g/mol
LogP-0.10
Rot. Bonds

About (4S)-3-methylidenepiperidin-4-ol

(4S)-3-methylidenepiperidin-4-ol (PubChem CID 89107509) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (4S)-3-methylidenepiperidin-4-ol.

Molecular Properties

Compound Name(4S)-3-methylidenepiperidin-4-ol
PubChem CID89107509
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(4S)-3-methylidenepiperidin-4-ol
SMILESC=C1CNCC[C@@H]1O
InChIInChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h6-8H,1-4H2/t6-/m0/s1
InChIKeyQJWUERDITRHVET-LURJTMIESA-N
XLogP-0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4S)-3-methylidenepiperidin-4-ol?
The IUPAC name of (4S)-3-methylidenepiperidin-4-ol (CID 89107509) is (4S)-3-methylidenepiperidin-4-ol.
What is the SMILES notation for (4S)-3-methylidenepiperidin-4-ol?
The canonical SMILES for (4S)-3-methylidenepiperidin-4-ol is C=C1CNCC[C@@H]1O.
What is the InChIKey of (4S)-3-methylidenepiperidin-4-ol?
The InChIKey is QJWUERDITRHVET-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h6-8H,1-4H2/t6-/m0/s1.
What are the key properties of (4S)-3-methylidenepiperidin-4-ol?
(4S)-3-methylidenepiperidin-4-ol has a molecular weight of 113.16 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methylidenepiperidin-4-ol is sourced from PubChem (CID 89107509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).