[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine

C14H20F2N2O — CID 107933095

IUPAC[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
SMILESCOCC1CCCN(c2ccc(CN)c(F)c2F)C1
InChIInChI=1S/C14H20F2N2O/c1-19-9-10-3-2-6-18(8-10)12-5-4-11(7-17)13(15)14(12)16/h4-5,10H,2-3,6-9,17H2,1H3
InChIKeyBSYHSNSWFANTEI-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.29
Rot. Bonds4

About [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine

[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine (PubChem CID 107933095) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
PubChem CID107933095
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
SMILESCOCC1CCCN(c2ccc(CN)c(F)c2F)C1
InChIInChI=1S/C14H20F2N2O/c1-19-9-10-3-2-6-18(8-10)12-5-4-11(7-17)13(15)14(12)16/h4-5,10H,2-3,6-9,17H2,1H3
InChIKeyBSYHSNSWFANTEI-UHFFFAOYSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 106585917
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
1-[4-(chloromethyl)-2-fluorophenyl]-3-(methoxymethyl)piperidine
CID 106587689
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
2,3-difluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 107935037
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
methyl 4-[3-(2-aminoethyl)piperidin-1-yl]-2,3-difluorobenzoate
CID 79835282
2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
1-[2-bromo-4-(chloromethyl)phenyl]-3-(methoxymethyl)piperidine
CID 114062586
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)piperidine
CID 106587694

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine (CID 107933095) is [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine is COCC1CCCN(c2ccc(CN)c(F)c2F)C1.
What is the InChIKey of [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine?
The InChIKey is BSYHSNSWFANTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-19-9-10-3-2-6-18(8-10)12-5-4-11(7-17)13(15)14(12)16/h4-5,10H,2-3,6-9,17H2,1H3.
What are the key properties of [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine?
[2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine has a molecular weight of 270.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine is sourced from PubChem (CID 107933095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).