1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine

C15H23FN2 — CID 784086

IUPAC1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2/c1-2-18-11-8-15(9-12-18)17-10-7-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeyNBMXLPRGMQRTFN-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.44
Rot. Bonds5

About 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine

1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine (PubChem CID 784086) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
PubChem CID784086
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2/c1-2-18-11-8-15(9-12-18)17-10-7-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3
InChIKeyNBMXLPRGMQRTFN-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine (CID 784086) is 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine is CCN1CCC(NCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The InChIKey is NBMXLPRGMQRTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-18-11-8-15(9-12-18)17-10-7-13-3-5-14(16)6-4-13/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 784086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).