1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid

C14H18F4N2O2 — CID 22182398

IUPAC1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(Cc2cccc(F)c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17FN2.C2HF3O2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15;3-2(4,5)1(6)7/h1-3,8,12H,4-7,9,14H2;(H,6,7)
InChIKeyNVEDRUYVWQMOQH-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.38
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid

1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 22182398) has the molecular formula C14H18F4N2O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID22182398
Molecular FormulaC14H18F4N2O2
Molecular Weight322.30 g/mol
Exact Mass322.13
IUPAC Name1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(Cc2cccc(F)c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17FN2.C2HF3O2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15;3-2(4,5)1(6)7/h1-3,8,12H,4-7,9,14H2;(H,6,7)
InChIKeyNVEDRUYVWQMOQH-UHFFFAOYSA-N
XLogP2.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 22182398) is 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is NC1CCN(Cc2cccc(F)c2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is NVEDRUYVWQMOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2.C2HF3O2/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15;3-2(4,5)1(6)7/h1-3,8,12H,4-7,9,14H2;(H,6,7).
What are the key properties of 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 322.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22182398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).