(5-methylidenepiperidin-2-yl)methanol

C7H13NO — CID 123139479

IUPAC(5-methylidenepiperidin-2-yl)methanol
SMILESC=C1CCC(CO)NC1
InChIInChI=1S/C7H13NO/c1-6-2-3-7(5-9)8-4-6/h7-9H,1-5H2
InChIKeyQTKJPGUQLFYCAF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About (5-methylidenepiperidin-2-yl)methanol

(5-methylidenepiperidin-2-yl)methanol (PubChem CID 123139479) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5-methylidenepiperidin-2-yl)methanol.

Molecular Properties

Compound Name(5-methylidenepiperidin-2-yl)methanol
PubChem CID123139479
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5-methylidenepiperidin-2-yl)methanol
SMILESC=C1CCC(CO)NC1
InChIInChI=1S/C7H13NO/c1-6-2-3-7(5-9)8-4-6/h7-9H,1-5H2
InChIKeyQTKJPGUQLFYCAF-UHFFFAOYSA-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
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
(2S,4R)-2-(hydroxymethyl)-3-methylidenepiperidin-4-ol
CID 89368238
5-Methylidenepiperidin-2-ol
CID 90972962
(3-Methylidenepiperidin-2-yl)methanol
CID 123169989
(3S,6S)-6-ethenylpiperidin-3-ol
CID 126725620
1-[(2R)-piperidin-2-yl]ethenol
CID 129030574
[(5E)-4-methylidene-5-prop-2-enylidenepiperidin-2-yl]methanol
CID 142617326
[(2S,6R)-6-ethenylpiperidin-2-yl]methanol
CID 55299297

Frequently Asked Questions

What is the IUPAC name of (5-methylidenepiperidin-2-yl)methanol?
The IUPAC name of (5-methylidenepiperidin-2-yl)methanol (CID 123139479) is (5-methylidenepiperidin-2-yl)methanol.
What is the SMILES notation for (5-methylidenepiperidin-2-yl)methanol?
The canonical SMILES for (5-methylidenepiperidin-2-yl)methanol is C=C1CCC(CO)NC1.
What is the InChIKey of (5-methylidenepiperidin-2-yl)methanol?
The InChIKey is QTKJPGUQLFYCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-2-3-7(5-9)8-4-6/h7-9H,1-5H2.
What are the key properties of (5-methylidenepiperidin-2-yl)methanol?
(5-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 (5-methylidenepiperidin-2-yl)methanol is sourced from PubChem (CID 123139479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).