[(2S)-4-methylidenepiperidin-2-yl]methanol

C7H13NO — CID 66733501

IUPAC[(2S)-4-methylidenepiperidin-2-yl]methanol
SMILESC=C1CCN[C@H](CO)C1
InChIInChI=1S/C7H13NO/c1-6-2-3-8-7(4-6)5-9/h7-9H,1-5H2/t7-/m0/s1
InChIKeyZDUWEBYLXSFJDY-ZETCQYMHSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About [(2S)-4-methylidenepiperidin-2-yl]methanol

[(2S)-4-methylidenepiperidin-2-yl]methanol (PubChem CID 66733501) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(2S)-4-methylidenepiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-methylidenepiperidin-2-yl]methanol
PubChem CID66733501
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(2S)-4-methylidenepiperidin-2-yl]methanol
SMILESC=C1CCN[C@H](CO)C1
InChIInChI=1S/C7H13NO/c1-6-2-3-8-7(4-6)5-9/h7-9H,1-5H2/t7-/m0/s1
InChIKeyZDUWEBYLXSFJDY-ZETCQYMHSA-N
XLogP0.29
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 ≤ 50.29
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

((s)-4-Methylene-piperidin-2-yl)-methanol hydrochloride
CID 66733500
(4-Methylidenepiperidin-2-yl)methanol;hydrochloride
CID 66733502
(4-Methylidenepiperidin-2-yl)methanol
CID 66733503
((r)-4-Methylene-piperidin-2-yl)-methanol hydrochloride
CID 66733540
6-Prop-2-enylpiperidin-3-ol
CID 67413271
[(2S)-5-ethyl-1,2,3,4-tetrahydropyridin-2-yl]methanol
CID 89014166
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
(2S,4R)-2-(hydroxymethyl)-3-methylidenepiperidin-4-ol
CID 89368238
(5-Methylidenepiperidin-2-yl)methanol
CID 123139479
(3-Methylidenepiperidin-2-yl)methanol
CID 123169989
(3S,6S)-6-ethenylpiperidin-3-ol
CID 126725620
1-[(2R)-piperidin-2-yl]ethenol
CID 129030574

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methylidenepiperidin-2-yl]methanol?
The IUPAC name of [(2S)-4-methylidenepiperidin-2-yl]methanol (CID 66733501) is [(2S)-4-methylidenepiperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-methylidenepiperidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-methylidenepiperidin-2-yl]methanol is C=C1CCN[C@H](CO)C1.
What is the InChIKey of [(2S)-4-methylidenepiperidin-2-yl]methanol?
The InChIKey is ZDUWEBYLXSFJDY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-2-3-8-7(4-6)5-9/h7-9H,1-5H2/t7-/m0/s1.
What are the key properties of [(2S)-4-methylidenepiperidin-2-yl]methanol?
[(2S)-4-methylidenepiperidin-2-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methylidenepiperidin-2-yl]methanol is sourced from PubChem (CID 66733501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).