1-hydroxy-4-methylidenepiperidine;phenylmethanol

C13H19NO2 — CID 143591537

IUPAC1-hydroxy-4-methylidenepiperidine;phenylmethanol
SMILESC=C1CCN(O)CC1.OCc1ccccc1
InChIInChI=1S/C7H8O.C6H11NO/c8-6-7-4-2-1-3-5-7;1-6-2-4-7(8)5-3-6/h1-5,8H,6H2;8H,1-5H2
InChIKeyVYMAKUZVBWNLMM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds1

About 1-hydroxy-4-methylidenepiperidine;phenylmethanol

1-hydroxy-4-methylidenepiperidine;phenylmethanol (PubChem CID 143591537) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-hydroxy-4-methylidenepiperidine;phenylmethanol.

Molecular Properties

Compound Name1-hydroxy-4-methylidenepiperidine;phenylmethanol
PubChem CID143591537
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-hydroxy-4-methylidenepiperidine;phenylmethanol
SMILESC=C1CCN(O)CC1.OCc1ccccc1
InChIInChI=1S/C7H8O.C6H11NO/c8-6-7-4-2-1-3-5-7;1-6-2-4-7(8)5-3-6/h1-5,8H,6H2;8H,1-5H2
InChIKeyVYMAKUZVBWNLMM-UHFFFAOYSA-N
XLogP2.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methylidenepiperidine;phenylmethanol?
The IUPAC name of 1-hydroxy-4-methylidenepiperidine;phenylmethanol (CID 143591537) is 1-hydroxy-4-methylidenepiperidine;phenylmethanol.
What is the SMILES notation for 1-hydroxy-4-methylidenepiperidine;phenylmethanol?
The canonical SMILES for 1-hydroxy-4-methylidenepiperidine;phenylmethanol is C=C1CCN(O)CC1.OCc1ccccc1.
What is the InChIKey of 1-hydroxy-4-methylidenepiperidine;phenylmethanol?
The InChIKey is VYMAKUZVBWNLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H11NO/c8-6-7-4-2-1-3-5-7;1-6-2-4-7(8)5-3-6/h1-5,8H,6H2;8H,1-5H2.
What are the key properties of 1-hydroxy-4-methylidenepiperidine;phenylmethanol?
1-hydroxy-4-methylidenepiperidine;phenylmethanol has a molecular weight of 221.30 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methylidenepiperidine;phenylmethanol is sourced from PubChem (CID 143591537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).