[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine

C15H22F2N2O — CID 63075929

IUPAC[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine
SMILESCCCOC1CCCN(c2c(F)cc(CN)cc2F)C1
InChIInChI=1S/C15H22F2N2O/c1-2-6-20-12-4-3-5-19(10-12)15-13(16)7-11(9-18)8-14(15)17/h7-8,12H,2-6,9-10,18H2,1H3
InChIKeyAIBGCNOCNYBYCI-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.82
Rot. Bonds5

About [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine

[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine (PubChem CID 63075929) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine
PubChem CID63075929
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine
SMILESCCCOC1CCCN(c2c(F)cc(CN)cc2F)C1
InChIInChI=1S/C15H22F2N2O/c1-2-6-20-12-4-3-5-19(10-12)15-13(16)7-11(9-18)8-14(15)17/h7-8,12H,2-6,9-10,18H2,1H3
InChIKeyAIBGCNOCNYBYCI-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine
CID 102813717
[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960143
1-[3,5-difluoro-4-(3-methoxypiperidin-1-yl)phenyl]butan-2-amine
CID 102968802
4-(3-ethoxypiperidin-1-yl)-3,5-difluorobenzaldehyde
CID 55146964
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106960042
3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76910257
2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783199
4-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 65343390
1-[2-chloro-4-(chloromethyl)phenyl]-3-propoxypiperidine
CID 81152608
2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806981

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine (CID 63075929) is [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine is CCCOC1CCCN(c2c(F)cc(CN)cc2F)C1.
What is the InChIKey of [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine?
The InChIKey is AIBGCNOCNYBYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-2-6-20-12-4-3-5-19(10-12)15-13(16)7-11(9-18)8-14(15)17/h7-8,12H,2-6,9-10,18H2,1H3.
What are the key properties of [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine?
[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine has a molecular weight of 284.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63075929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).