2-piperidin-2-ylideneethanol

C7H13NO — CID 67807310

IUPAC2-piperidin-2-ylideneethanol
SMILESOCC=C1CCCCN1
InChIInChI=1S/C7H13NO/c9-6-4-7-3-1-2-5-8-7/h4,8-9H,1-3,5-6H2
InChIKeyYFWHFBXSGSRJCL-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.64
Rot. Bonds1

About 2-piperidin-2-ylideneethanol

2-piperidin-2-ylideneethanol (PubChem CID 67807310) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-piperidin-2-ylideneethanol.

Molecular Properties

Compound Name2-piperidin-2-ylideneethanol
PubChem CID67807310
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-piperidin-2-ylideneethanol
SMILESOCC=C1CCCCN1
InChIInChI=1S/C7H13NO/c9-6-4-7-3-1-2-5-8-7/h4,8-9H,1-3,5-6H2
InChIKeyYFWHFBXSGSRJCL-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-ylideneethanol?
The IUPAC name of 2-piperidin-2-ylideneethanol (CID 67807310) is 2-piperidin-2-ylideneethanol.
What is the SMILES notation for 2-piperidin-2-ylideneethanol?
The canonical SMILES for 2-piperidin-2-ylideneethanol is OCC=C1CCCCN1.
What is the InChIKey of 2-piperidin-2-ylideneethanol?
The InChIKey is YFWHFBXSGSRJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-6-4-7-3-1-2-5-8-7/h4,8-9H,1-3,5-6H2.
What are the key properties of 2-piperidin-2-ylideneethanol?
2-piperidin-2-ylideneethanol has a molecular weight of 127.19 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylideneethanol is sourced from PubChem (CID 67807310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).