1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine

C16H25FN2O — CID 107390723

IUPAC1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine
SMILESCOC1(C)CCCN(C(c2ccccc2F)C(C)N)C1
InChIInChI=1S/C16H25FN2O/c1-12(18)15(13-7-4-5-8-14(13)17)19-10-6-9-16(2,11-19)20-3/h4-5,7-8,12,15H,6,9-11,18H2,1-3H3
InChIKeyRRSSZUZHXKKCTB-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine

1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine (PubChem CID 107390723) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine
PubChem CID107390723
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine
SMILESCOC1(C)CCCN(C(c2ccccc2F)C(C)N)C1
InChIInChI=1S/C16H25FN2O/c1-12(18)15(13-7-4-5-8-14(13)17)19-10-6-9-16(2,11-19)20-3/h4-5,7-8,12,15H,6,9-11,18H2,1-3H3
InChIKeyRRSSZUZHXKKCTB-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 107390702
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107395164
1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63156273
1-(2-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55018678
1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 62773806
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)propan-2-amine
CID 104957874
1-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018870
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068532
1-(2-ethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018636
1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63605368
2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine (CID 107390723) is 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine is COC1(C)CCCN(C(c2ccccc2F)C(C)N)C1.
What is the InChIKey of 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine?
The InChIKey is RRSSZUZHXKKCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(18)15(13-7-4-5-8-14(13)17)19-10-6-9-16(2,11-19)20-3/h4-5,7-8,12,15H,6,9-11,18H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine?
1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 107390723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).