1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol

C15H23FN2O — CID 81114930

IUPAC1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2O/c1-15(19)6-9-18(10-7-15)8-5-14(17)12-3-2-4-13(16)11-12/h2-4,11,14,19H,5-10,17H2,1H3
InChIKeyJSGPTEFBDRFJTC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.06
Rot. Bonds4

About 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol

1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol (PubChem CID 81114930) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
PubChem CID81114930
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC(N)c2cccc(F)c2)CC1
InChIInChI=1S/C15H23FN2O/c1-15(19)6-9-18(10-7-15)8-5-14(17)12-3-2-4-13(16)11-12/h2-4,11,14,19H,5-10,17H2,1H3
InChIKeyJSGPTEFBDRFJTC-UHFFFAOYSA-N
XLogP2.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol (CID 81114930) is 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol is CC1(O)CCN(CCC(N)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol?
The InChIKey is JSGPTEFBDRFJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(19)6-9-18(10-7-15)8-5-14(17)12-3-2-4-13(16)11-12/h2-4,11,14,19H,5-10,17H2,1H3.
What are the key properties of 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol?
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol has a molecular weight of 266.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81114930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).