5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol

C18H30N2O — CID 79591482

IUPAC5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N2CC(C)CCC2C)cc1O
InChIInChI=1S/C18H30N2O/c1-5-10-19-15(4)17-9-8-16(11-18(17)21)20-12-13(2)6-7-14(20)3/h8-9,11,13-15,19,21H,5-7,10,12H2,1-4H3
InChIKeyDKHJFXYUDGFDCB-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.08
Rot. Bonds5

About 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol

5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol (PubChem CID 79591482) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol.

Molecular Properties

Compound Name5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol
PubChem CID79591482
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol
SMILESCCCNC(C)c1ccc(N2CC(C)CCC2C)cc1O
InChIInChI=1S/C18H30N2O/c1-5-10-19-15(4)17-9-8-16(11-18(17)21)20-12-13(2)6-7-14(20)3/h8-9,11,13-15,19,21H,5-7,10,12H2,1-4H3
InChIKeyDKHJFXYUDGFDCB-UHFFFAOYSA-N
XLogP4.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The IUPAC name of 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol (CID 79591482) is 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol.
What is the SMILES notation for 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The canonical SMILES for 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol is CCCNC(C)c1ccc(N2CC(C)CCC2C)cc1O.
What is the InChIKey of 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol?
The InChIKey is DKHJFXYUDGFDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-10-19-15(4)17-9-8-16(11-18(17)21)20-12-13(2)6-7-14(20)3/h8-9,11,13-15,19,21H,5-7,10,12H2,1-4H3.
What are the key properties of 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol?
5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpiperidin-1-yl)-2-[1-(propylamino)ethyl]phenol is sourced from PubChem (CID 79591482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).