4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine

C18H28FN — CID 79439867

IUPAC4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
SMILESCCC(C)CC1(CC)CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H28FN/c1-4-14(3)12-18(5-2)9-10-20-13-17(18)15-7-6-8-16(19)11-15/h6-8,11,14,17,20H,4-5,9-10,12-13H2,1-3H3
InChIKeySVWVVTGPSCOXCS-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.74
Rot. Bonds5

About 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine

4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine (PubChem CID 79439867) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine.

Molecular Properties

Compound Name4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
PubChem CID79439867
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
SMILESCCC(C)CC1(CC)CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H28FN/c1-4-14(3)12-18(5-2)9-10-20-13-17(18)15-7-6-8-16(19)11-15/h6-8,11,14,17,20H,4-5,9-10,12-13H2,1-3H3
InChIKeySVWVVTGPSCOXCS-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine?
The IUPAC name of 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine (CID 79439867) is 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine.
What is the SMILES notation for 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine?
The canonical SMILES for 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine is CCC(C)CC1(CC)CCNCC1c1cccc(F)c1.
What is the InChIKey of 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine?
The InChIKey is SVWVVTGPSCOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-4-14(3)12-18(5-2)9-10-20-13-17(18)15-7-6-8-16(19)11-15/h6-8,11,14,17,20H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine?
4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine has a molecular weight of 277.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine is sourced from PubChem (CID 79439867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).