piperidin-3-ylidenemethanol

C6H11NO — CID 67608436

IUPACpiperidin-3-ylidenemethanol
SMILESOC=C1CCCNC1
InChIInChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h5,7-8H,1-4H2
InChIKeyGHWLSQVFZGWFLK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.81
Rot. Bonds

About piperidin-3-ylidenemethanol

piperidin-3-ylidenemethanol (PubChem CID 67608436) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is piperidin-3-ylidenemethanol.

Molecular Properties

Compound Namepiperidin-3-ylidenemethanol
PubChem CID67608436
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Namepiperidin-3-ylidenemethanol
SMILESOC=C1CCCNC1
InChIInChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h5,7-8H,1-4H2
InChIKeyGHWLSQVFZGWFLK-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-piperidin-3-ylidenemethanol
CID 20517397
(4S)-3-methylidenepiperidin-4-ol
CID 89107509
Piperidin-4-ylidenemethanol
CID 89711326
5-Methylidenepiperidin-2-ol
CID 90972962
(2E)-2-piperidin-3-ylideneethanol
CID 115011142
3-Methylidenepiperidin-2-ol
CID 123193776
2-Piperidin-3-ylideneethanol
CID 131343397
(E)-piperidin-2-ylidenemethanol
CID 141339932
Piperidin-2-ylidenemethanol
CID 141372295
3-Methylidenepiperidin-4-ol
CID 142181331
(2Z)-2-piperidin-3-ylideneethanol
CID 143995830
(3Z)-3-piperidin-3-ylidenepropan-1-ol
CID 84072867

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylidenemethanol?
The IUPAC name of piperidin-3-ylidenemethanol (CID 67608436) is piperidin-3-ylidenemethanol.
What is the SMILES notation for piperidin-3-ylidenemethanol?
The canonical SMILES for piperidin-3-ylidenemethanol is OC=C1CCCNC1.
What is the InChIKey of piperidin-3-ylidenemethanol?
The InChIKey is GHWLSQVFZGWFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h5,7-8H,1-4H2.
What are the key properties of piperidin-3-ylidenemethanol?
piperidin-3-ylidenemethanol has a molecular weight of 113.16 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylidenemethanol is sourced from PubChem (CID 67608436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).