1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine

C13H19FN2 — CID 117019217

IUPAC1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
SMILESCC1(C)C(N)CCCN1c1ccccc1F
InChIInChI=1S/C13H19FN2/c1-13(2)12(15)8-5-9-16(13)11-7-4-3-6-10(11)14/h3-4,6-7,12H,5,8-9,15H2,1-2H3
InChIKeyVGHLPNQFSRIVSK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.53
Rot. Bonds1

About 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine

1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine (PubChem CID 117019217) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
PubChem CID117019217
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine
SMILESCC1(C)C(N)CCCN1c1ccccc1F
InChIInChI=1S/C13H19FN2/c1-13(2)12(15)8-5-9-16(13)11-7-4-3-6-10(11)14/h3-4,6-7,12H,5,8-9,15H2,1-2H3
InChIKeyVGHLPNQFSRIVSK-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine?
The IUPAC name of 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine (CID 117019217) is 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine is CC1(C)C(N)CCCN1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine?
The InChIKey is VGHLPNQFSRIVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(2)12(15)8-5-9-16(13)11-7-4-3-6-10(11)14/h3-4,6-7,12H,5,8-9,15H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine?
1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine has a molecular weight of 222.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,2-dimethylpiperidin-3-amine is sourced from PubChem (CID 117019217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).