3-methylidenepiperidin-2-ol

C6H11NO — CID 123193776

IUPAC3-methylidenepiperidin-2-ol
SMILESC=C1CCCNC1O
InChIInChI=1S/C6H11NO/c1-5-3-2-4-7-6(5)8/h6-8H,1-4H2
InChIKeyNVCVPTYYLAKBPX-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.24
Rot. Bonds

About 3-methylidenepiperidin-2-ol

3-methylidenepiperidin-2-ol (PubChem CID 123193776) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methylidenepiperidin-2-ol.

Molecular Properties

Compound Name3-methylidenepiperidin-2-ol
PubChem CID123193776
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methylidenepiperidin-2-ol
SMILESC=C1CCCNC1O
InChIInChI=1S/C6H11NO/c1-5-3-2-4-7-6(5)8/h6-8H,1-4H2
InChIKeyNVCVPTYYLAKBPX-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
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

(Z)-piperidin-3-ylidenemethanol
CID 20517397
2-(3-Methylidenepiperidin-4-yl)ethanol
CID 22928791
Piperidin-3-ylidenemethanol
CID 67608436
(4S)-3-methylidenepiperidin-4-ol
CID 89107509
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
2-Methoxy-5-methylidenepiperidine
CID 91437785
(2-Hydroxypiperidin-3-ylidene)methanone
CID 141218822
3-Methylidenepiperidin-4-ol
CID 142181331
[(3R)-5-methylidenepiperidin-3-yl]methanol
CID 166104515

Frequently Asked Questions

What is the IUPAC name of 3-methylidenepiperidin-2-ol?
The IUPAC name of 3-methylidenepiperidin-2-ol (CID 123193776) is 3-methylidenepiperidin-2-ol.
What is the SMILES notation for 3-methylidenepiperidin-2-ol?
The canonical SMILES for 3-methylidenepiperidin-2-ol is C=C1CCCNC1O.
What is the InChIKey of 3-methylidenepiperidin-2-ol?
The InChIKey is NVCVPTYYLAKBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-2-4-7-6(5)8/h6-8H,1-4H2.
What are the key properties of 3-methylidenepiperidin-2-ol?
3-methylidenepiperidin-2-ol has a molecular weight of 113.16 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepiperidin-2-ol is sourced from PubChem (CID 123193776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).