3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine

C17H23FN2O — CID 107913167

IUPAC3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
SMILESCN1CCCCC1CCOc1ccc(C#CCN)c(F)c1
InChIInChI=1S/C17H23FN2O/c1-20-11-3-2-6-15(20)9-12-21-16-8-7-14(5-4-10-19)17(18)13-16/h7-8,13,15H,2-3,6,9-12,19H2,1H3
InChIKeyNPBWJDOCGGLFTQ-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.39
Rot. Bonds4

About 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine

3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine (PubChem CID 107913167) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
PubChem CID107913167
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
SMILESCN1CCCCC1CCOc1ccc(C#CCN)c(F)c1
InChIInChI=1S/C17H23FN2O/c1-20-11-3-2-6-15(20)9-12-21-16-8-7-14(5-4-10-19)17(18)13-16/h7-8,13,15H,2-3,6,9-12,19H2,1H3
InChIKeyNPBWJDOCGGLFTQ-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912877
3-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913129
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 61102124
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
2-[2-[4-(4-chlorobut-1-ynyl)phenoxy]ethyl]-1-methylpiperidine
CID 107913150
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
3-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 83134569
1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911135

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine (CID 107913167) is 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine is CN1CCCCC1CCOc1ccc(C#CCN)c(F)c1.
What is the InChIKey of 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine?
The InChIKey is NPBWJDOCGGLFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-20-11-3-2-6-15(20)9-12-21-16-8-7-14(5-4-10-19)17(18)13-16/h7-8,13,15H,2-3,6,9-12,19H2,1H3.
What are the key properties of 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine?
3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine has a molecular weight of 290.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 107913167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).