[(3R)-5-methylidenepiperidin-3-yl]methanol

C7H13NO — CID 166104515

IUPAC[(3R)-5-methylidenepiperidin-3-yl]methanol
SMILESC=C1CNC[C@H](CO)C1
InChIInChI=1S/C7H13NO/c1-6-2-7(5-9)4-8-3-6/h7-9H,1-5H2/t7-/m1/s1
InChIKeyKVSPNYNUSGKQOJ-SSDOTTSWSA-N
MW127.19 g/mol
LogP0.14
Rot. Bonds1

About [(3R)-5-methylidenepiperidin-3-yl]methanol

[(3R)-5-methylidenepiperidin-3-yl]methanol (PubChem CID 166104515) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(3R)-5-methylidenepiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-5-methylidenepiperidin-3-yl]methanol
PubChem CID166104515
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(3R)-5-methylidenepiperidin-3-yl]methanol
SMILESC=C1CNC[C@H](CO)C1
InChIInChI=1S/C7H13NO/c1-6-2-7(5-9)4-8-3-6/h7-9H,1-5H2/t7-/m1/s1
InChIKeyKVSPNYNUSGKQOJ-SSDOTTSWSA-N
XLogP0.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethan-1-ol
CID 22825905
2-(3-Methylidenepiperidin-4-yl)ethanol
CID 22928791
(6-Methylidenepiperidin-3-yl)methanol
CID 68263787
1-Piperidin-3-ylethenol
CID 68343278
1-[(3R)-piperidin-3-yl]ethenol
CID 70266404
2-[(3R)-3-ethenylpiperidin-4-yl]ethanol
CID 70502413
2-(Piperidin-4-yl)prop-2-en-1-ol
CID 89139621
5-Methylidenepiperidin-2-ol
CID 90972962
(5-Methylidenepiperidin-3-yl)methanol
CID 91316814
3-Methyl-5-methylidenepiperidin-2-ol
CID 91350015
3-Methylidenepiperidin-2-ol
CID 123193776
1-[(5R)-5-methylpiperidin-3-yl]ethenol
CID 176954918

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-methylidenepiperidin-3-yl]methanol?
The IUPAC name of [(3R)-5-methylidenepiperidin-3-yl]methanol (CID 166104515) is [(3R)-5-methylidenepiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-5-methylidenepiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-5-methylidenepiperidin-3-yl]methanol is C=C1CNC[C@H](CO)C1.
What is the InChIKey of [(3R)-5-methylidenepiperidin-3-yl]methanol?
The InChIKey is KVSPNYNUSGKQOJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-2-7(5-9)4-8-3-6/h7-9H,1-5H2/t7-/m1/s1.
What are the key properties of [(3R)-5-methylidenepiperidin-3-yl]methanol?
[(3R)-5-methylidenepiperidin-3-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-methylidenepiperidin-3-yl]methanol is sourced from PubChem (CID 166104515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).