2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine

C14H21FN2 — CID 144890195

IUPAC2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine
SMILESCC1(c2cccc(F)c2)CCN(CCN)CC1
InChIInChI=1S/C14H21FN2/c1-14(12-3-2-4-13(15)11-12)5-8-17(9-6-14)10-7-16/h2-4,11H,5-10,16H2,1H3
InChIKeyFKQCUBSTHLJRQX-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.14
Rot. Bonds3

About 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine

2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine (PubChem CID 144890195) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine
PubChem CID144890195
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine
SMILESCC1(c2cccc(F)c2)CCN(CCN)CC1
InChIInChI=1S/C14H21FN2/c1-14(12-3-2-4-13(15)11-12)5-8-17(9-6-14)10-7-16/h2-4,11H,5-10,16H2,1H3
InChIKeyFKQCUBSTHLJRQX-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine (CID 144890195) is 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine is CC1(c2cccc(F)c2)CCN(CCN)CC1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine?
The InChIKey is FKQCUBSTHLJRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(12-3-2-4-13(15)11-12)5-8-17(9-6-14)10-7-16/h2-4,11H,5-10,16H2,1H3.
What are the key properties of 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine?
2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-4-methylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 144890195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).