[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol

C17H27FN2O — CID 61406406

IUPAC[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
SMILESCCCNC(C)c1ccc(N2CCCCC2CO)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-3-9-19-13(2)14-7-8-17(16(18)11-14)20-10-5-4-6-15(20)12-21/h7-8,11,13,15,19,21H,3-6,9-10,12H2,1-2H3
InChIKeyDCODURYFPJGPMY-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.24
Rot. Bonds6

About [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol

[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol (PubChem CID 61406406) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
PubChem CID61406406
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
SMILESCCCNC(C)c1ccc(N2CCCCC2CO)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-3-9-19-13(2)14-7-8-17(16(18)11-14)20-10-5-4-6-15(20)12-21/h7-8,11,13,15,19,21H,3-6,9-10,12H2,1-2H3
InChIKeyDCODURYFPJGPMY-UHFFFAOYSA-N
XLogP3.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 78939949
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
CID 78934575
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
N-ethyl-1-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283969
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106669966
N-[1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 43284028
[1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781778
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61407251
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538

Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol (CID 61406406) is [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol is CCCNC(C)c1ccc(N2CCCCC2CO)c(F)c1.
What is the InChIKey of [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol?
The InChIKey is DCODURYFPJGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-9-19-13(2)14-7-8-17(16(18)11-14)20-10-5-4-6-15(20)12-21/h7-8,11,13,15,19,21H,3-6,9-10,12H2,1-2H3.
What are the key properties of [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol?
[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol has a molecular weight of 294.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol is sourced from PubChem (CID 61406406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).