1-(2,3,5-trifluorophenyl)piperidin-4-amine

C11H13F3N2 — CID 62809520

IUPAC1-(2,3,5-trifluorophenyl)piperidin-4-amine
SMILESNC1CCN(c2cc(F)cc(F)c2F)CC1
InChIInChI=1S/C11H13F3N2/c12-7-5-9(13)11(14)10(6-7)16-3-1-8(15)2-4-16/h5-6,8H,1-4,15H2
InChIKeyFXKBJWGUKHETMK-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.03
Rot. Bonds1

About 1-(2,3,5-trifluorophenyl)piperidin-4-amine

1-(2,3,5-trifluorophenyl)piperidin-4-amine (PubChem CID 62809520) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(2,3,5-trifluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3,5-trifluorophenyl)piperidin-4-amine
PubChem CID62809520
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name1-(2,3,5-trifluorophenyl)piperidin-4-amine
SMILESNC1CCN(c2cc(F)cc(F)c2F)CC1
InChIInChI=1S/C11H13F3N2/c12-7-5-9(13)11(14)10(6-7)16-3-1-8(15)2-4-16/h5-6,8H,1-4,15H2
InChIKeyFXKBJWGUKHETMK-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trifluorophenyl)piperidin-4-amine?
The IUPAC name of 1-(2,3,5-trifluorophenyl)piperidin-4-amine (CID 62809520) is 1-(2,3,5-trifluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3,5-trifluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-(2,3,5-trifluorophenyl)piperidin-4-amine is NC1CCN(c2cc(F)cc(F)c2F)CC1.
What is the InChIKey of 1-(2,3,5-trifluorophenyl)piperidin-4-amine?
The InChIKey is FXKBJWGUKHETMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-7-5-9(13)11(14)10(6-7)16-3-1-8(15)2-4-16/h5-6,8H,1-4,15H2.
What are the key properties of 1-(2,3,5-trifluorophenyl)piperidin-4-amine?
1-(2,3,5-trifluorophenyl)piperidin-4-amine has a molecular weight of 230.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trifluorophenyl)piperidin-4-amine is sourced from PubChem (CID 62809520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).