N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine

C15H23FN2 — CID 81300776

IUPACN-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)C(C)C1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-11-9-15(7-8-18(11)3)17-12(2)13-5-4-6-14(16)10-13/h4-6,10-12,15,17H,7-9H2,1-3H3
InChIKeyRUDAZVDPCVFTQU-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine

N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81300776) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81300776
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)C(C)C1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-11-9-15(7-8-18(11)3)17-12(2)13-5-4-6-14(16)10-13/h4-6,10-12,15,17H,7-9H2,1-3H3
InChIKeyRUDAZVDPCVFTQU-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine (CID 81300776) is N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine is CC(NC1CCN(C)C(C)C1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is RUDAZVDPCVFTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-9-15(7-8-18(11)3)17-12(2)13-5-4-6-14(16)10-13/h4-6,10-12,15,17H,7-9H2,1-3H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine?
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81300776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).