3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine

C16H25FN2O — CID 79732218

IUPAC3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCc1cc(CN2CCC(OCCCN)CC2)ccc1F
InChIInChI=1S/C16H25FN2O/c1-13-11-14(3-4-16(13)17)12-19-8-5-15(6-9-19)20-10-2-7-18/h3-4,11,15H,2,5-10,12,18H2,1H3
InChIKeyHBEYBQVOYKJDGQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.46
Rot. Bonds6

About 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine

3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79732218) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79732218
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCc1cc(CN2CCC(OCCCN)CC2)ccc1F
InChIInChI=1S/C16H25FN2O/c1-13-11-14(3-4-16(13)17)12-19-8-5-15(6-9-19)20-10-2-7-18/h3-4,11,15H,2,5-10,12,18H2,1H3
InChIKeyHBEYBQVOYKJDGQ-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597
3-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 114851329
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295
4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzonitrile
CID 79732133
3-[1-(furan-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79732216
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692849
3-[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 81490932
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 79736873
3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 120712446
2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyethanamine
CID 82689141

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 79732218) is 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine is Cc1cc(CN2CCC(OCCCN)CC2)ccc1F.
What is the InChIKey of 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is HBEYBQVOYKJDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13-11-14(3-4-16(13)17)12-19-8-5-15(6-9-19)20-10-2-7-18/h3-4,11,15H,2,5-10,12,18H2,1H3.
What are the key properties of 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79732218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).