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

C15H23FN2 — CID 115145574

IUPACN-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine
SMILESCC1(C)CC(NCCc2ccc(F)cc2)CCN1
InChIInChI=1S/C15H23FN2/c1-15(2)11-14(8-10-18-15)17-9-7-12-3-5-13(16)6-4-12/h3-6,14,17-18H,7-11H2,1-2H3
InChIKeyOBCJSIYGKJVYLL-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.49
Rot. Bonds4

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

N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine (PubChem CID 115145574) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine
PubChem CID115145574
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine
SMILESCC1(C)CC(NCCc2ccc(F)cc2)CCN1
InChIInChI=1S/C15H23FN2/c1-15(2)11-14(8-10-18-15)17-9-7-12-3-5-13(16)6-4-12/h3-6,14,17-18H,7-11H2,1-2H3
InChIKeyOBCJSIYGKJVYLL-UHFFFAOYSA-N
XLogP2.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine (CID 115145574) is N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine is CC1(C)CC(NCCc2ccc(F)cc2)CCN1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine?
The InChIKey is OBCJSIYGKJVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2)11-14(8-10-18-15)17-9-7-12-3-5-13(16)6-4-12/h3-6,14,17-18H,7-11H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine?
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 115145574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).