[2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine

C14H21FN2O — CID 163390553

IUPAC[2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine
SMILESCN1CCC(OCc2ccc(CN)c(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,9-10,16H2,1H3
InChIKeyZLBOQCJKSFWHAH-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.90
Rot. Bonds4

About [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine

[2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine (PubChem CID 163390553) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine
PubChem CID163390553
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine
SMILESCN1CCC(OCc2ccc(CN)c(F)c2)CC1
InChIInChI=1S/C14H21FN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,9-10,16H2,1H3
InChIKeyZLBOQCJKSFWHAH-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine (CID 163390553) is [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine is CN1CCC(OCc2ccc(CN)c(F)c2)CC1.
What is the InChIKey of [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine?
The InChIKey is ZLBOQCJKSFWHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,9-10,16H2,1H3.
What are the key properties of [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine?
[2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 163390553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).