1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol

C16H25FN2O2 — CID 102967008

IUPAC1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
SMILESCOc1cccc(F)c1C(N)CCN1CCC(C)C(O)C1
InChIInChI=1S/C16H25FN2O2/c1-11-6-8-19(10-14(11)20)9-7-13(18)16-12(17)4-3-5-15(16)21-2/h3-5,11,13-14,20H,6-10,18H2,1-2H3
InChIKeyJMXUPUNXXBHIDN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.93
Rot. Bonds5

About 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol

1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol (PubChem CID 102967008) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
PubChem CID102967008
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
SMILESCOc1cccc(F)c1C(N)CCN1CCC(C)C(O)C1
InChIInChI=1S/C16H25FN2O2/c1-11-6-8-19(10-14(11)20)9-7-13(18)16-12(17)4-3-5-15(16)21-2/h3-5,11,13-14,20H,6-10,18H2,1-2H3
InChIKeyJMXUPUNXXBHIDN-UHFFFAOYSA-N
XLogP1.93
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol (CID 102967008) is 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol is COc1cccc(F)c1C(N)CCN1CCC(C)C(O)C1.
What is the InChIKey of 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The InChIKey is JMXUPUNXXBHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11-6-8-19(10-14(11)20)9-7-13(18)16-12(17)4-3-5-15(16)21-2/h3-5,11,13-14,20H,6-10,18H2,1-2H3.
What are the key properties of 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol has a molecular weight of 296.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(2-fluoro-6-methoxyphenyl)propyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102967008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).