5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol

C13H20N2O2 — CID 83006608

IUPAC5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol
SMILESCOc1ccc(CNN2CCCCC2)c(O)c1
InChIInChI=1S/C13H20N2O2/c1-17-12-6-5-11(13(16)9-12)10-14-15-7-3-2-4-8-15/h5-6,9,14,16H,2-4,7-8,10H2,1H3
InChIKeyUGNPLBZROBMLCT-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.89
Rot. Bonds4

About 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol

5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol (PubChem CID 83006608) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol
PubChem CID83006608
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol
SMILESCOc1ccc(CNN2CCCCC2)c(O)c1
InChIInChI=1S/C13H20N2O2/c1-17-12-6-5-11(13(16)9-12)10-14-15-7-3-2-4-8-15/h5-6,9,14,16H,2-4,7-8,10H2,1H3
InChIKeyUGNPLBZROBMLCT-UHFFFAOYSA-N
XLogP1.89
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol (CID 83006608) is 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol is COc1ccc(CNN2CCCCC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol?
The InChIKey is UGNPLBZROBMLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-12-6-5-11(13(16)9-12)10-14-15-7-3-2-4-8-15/h5-6,9,14,16H,2-4,7-8,10H2,1H3.
What are the key properties of 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol?
5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol is sourced from PubChem (CID 83006608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).