ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen

C15H27FN2 — CID 165141938

IUPACethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
SMILESCC.CCN[C@@H]1CCN[C@H](c2ccc(F)cc2)C1.[H][H]
InChIInChI=1S/C13H19FN2.C2H6.H2/c1-2-15-12-7-8-16-13(9-12)10-3-5-11(14)6-4-10;1-2;/h3-6,12-13,15-16H,2,7-9H2,1H3;1-2H3;1H/t12-,13+;;/m1../s1
InChIKeyVFURDBLRYAVXMB-VAALMUBNSA-N
MW254.39 g/mol
LogP3.50
Rot. Bonds3

About ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen

ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen (PubChem CID 165141938) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
PubChem CID165141938
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Nameethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
SMILESCC.CCN[C@@H]1CCN[C@H](c2ccc(F)cc2)C1.[H][H]
InChIInChI=1S/C13H19FN2.C2H6.H2/c1-2-15-12-7-8-16-13(9-12)10-3-5-11(14)6-4-10;1-2;/h3-6,12-13,15-16H,2,7-9H2,1H3;1-2H3;1H/t12-,13+;;/m1../s1
InChIKeyVFURDBLRYAVXMB-VAALMUBNSA-N
XLogP3.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen?
The IUPAC name of ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen (CID 165141938) is ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen.
What is the SMILES notation for ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen?
The canonical SMILES for ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen is CC.CCN[C@@H]1CCN[C@H](c2ccc(F)cc2)C1.[H][H].
What is the InChIKey of ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen?
The InChIKey is VFURDBLRYAVXMB-VAALMUBNSA-N. The full InChI is InChI=1S/C13H19FN2.C2H6.H2/c1-2-15-12-7-8-16-13(9-12)10-3-5-11(14)6-4-10;1-2;/h3-6,12-13,15-16H,2,7-9H2,1H3;1-2H3;1H/t12-,13+;;/m1../s1.
What are the key properties of ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen?
ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen has a molecular weight of 254.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 165141938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).