5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol

C16H25FN2O — CID 63066713

IUPAC5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
SMILESCC(NC1CCN(C(C)C)CC1)c1ccc(F)cc1O
InChIInChI=1S/C16H25FN2O/c1-11(2)19-8-6-14(7-9-19)18-12(3)15-5-4-13(17)10-16(15)20/h4-5,10-12,14,18,20H,6-9H2,1-3H3
InChIKeyYPHOLMSPSMYXQO-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.05
Rot. Bonds4

About 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol

5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol (PubChem CID 63066713) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
PubChem CID63066713
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
SMILESCC(NC1CCN(C(C)C)CC1)c1ccc(F)cc1O
InChIInChI=1S/C16H25FN2O/c1-11(2)19-8-6-14(7-9-19)18-12(3)15-5-4-13(17)10-16(15)20/h4-5,10-12,14,18,20H,6-9H2,1-3H3
InChIKeyYPHOLMSPSMYXQO-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63068697
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
CID 104582755
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 43747094
1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
CID 43098203
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol (CID 63066713) is 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol is CC(NC1CCN(C(C)C)CC1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol?
The InChIKey is YPHOLMSPSMYXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(2)19-8-6-14(7-9-19)18-12(3)15-5-4-13(17)10-16(15)20/h4-5,10-12,14,18,20H,6-9H2,1-3H3.
What are the key properties of 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol?
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol has a molecular weight of 280.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 63066713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).