[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol

C17H27FN2O — CID 43590375

IUPAC[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol
SMILESCCCNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-3-8-19-13(2)15-6-7-17(16(18)10-15)20-9-4-5-14(11-20)12-21/h6-7,10,13-14,19,21H,3-5,8-9,11-12H2,1-2H3
InChIKeyWXQLSUQKHJAPQD-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.10
Rot. Bonds6

About [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol

[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol (PubChem CID 43590375) 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-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol
PubChem CID43590375
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol
SMILESCCCNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-3-8-19-13(2)15-6-7-17(16(18)10-15)20-9-4-5-14(11-20)12-21/h6-7,10,13-14,19,21H,3-5,8-9,11-12H2,1-2H3
InChIKeyWXQLSUQKHJAPQD-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol (CID 43590375) is [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol is CCCNC(C)c1ccc(N2CCCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol?
The InChIKey is WXQLSUQKHJAPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-8-19-13(2)15-6-7-17(16(18)10-15)20-9-4-5-14(11-20)12-21/h6-7,10,13-14,19,21H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of [1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol?
[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-3-yl]methanol has a molecular weight of 294.41 g/mol, XLogP of 3.10, 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-3-yl]methanol is sourced from PubChem (CID 43590375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).