1-piperidin-4-ylethenol

C7H13NO — CID 70315961

IUPAC1-piperidin-4-ylethenol
SMILESC=C(O)C1CCNCC1
InChIInChI=1S/C7H13NO/c1-6(9)7-2-4-8-5-3-7/h7-9H,1-5H2
InChIKeyDLHYGJZQKQJJMZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.06
Rot. Bonds1

About 1-piperidin-4-ylethenol

1-piperidin-4-ylethenol (PubChem CID 70315961) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-piperidin-4-ylethenol.

Molecular Properties

Compound Name1-piperidin-4-ylethenol
PubChem CID70315961
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-piperidin-4-ylethenol
SMILESC=C(O)C1CCNCC1
InChIInChI=1S/C7H13NO/c1-6(9)7-2-4-8-5-3-7/h7-9H,1-5H2
InChIKeyDLHYGJZQKQJJMZ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylethenol?
The IUPAC name of 1-piperidin-4-ylethenol (CID 70315961) is 1-piperidin-4-ylethenol.
What is the SMILES notation for 1-piperidin-4-ylethenol?
The canonical SMILES for 1-piperidin-4-ylethenol is C=C(O)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylethenol?
The InChIKey is DLHYGJZQKQJJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(9)7-2-4-8-5-3-7/h7-9H,1-5H2.
What are the key properties of 1-piperidin-4-ylethenol?
1-piperidin-4-ylethenol has a molecular weight of 127.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylethenol is sourced from PubChem (CID 70315961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).