ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine

C16H26FN — CID 176552852

IUPACethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine
SMILESCC.CCN1CCC(c2c(C)cccc2F)CC1
InChIInChI=1S/C14H20FN.C2H6/c1-3-16-9-7-12(8-10-16)14-11(2)5-4-6-13(14)15;1-2/h4-6,12H,3,7-10H2,1-2H3;1-2H3
InChIKeyRVNXDPBTOKDMDL-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.36
Rot. Bonds2

About ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine

ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine (PubChem CID 176552852) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine.

Molecular Properties

Compound Nameethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine
PubChem CID176552852
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Nameethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine
SMILESCC.CCN1CCC(c2c(C)cccc2F)CC1
InChIInChI=1S/C14H20FN.C2H6/c1-3-16-9-7-12(8-10-16)14-11(2)5-4-6-13(14)15;1-2/h4-6,12H,3,7-10H2,1-2H3;1-2H3
InChIKeyRVNXDPBTOKDMDL-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine?
The IUPAC name of ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine (CID 176552852) is ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine.
What is the SMILES notation for ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine?
The canonical SMILES for ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine is CC.CCN1CCC(c2c(C)cccc2F)CC1.
What is the InChIKey of ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine?
The InChIKey is RVNXDPBTOKDMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN.C2H6/c1-3-16-9-7-12(8-10-16)14-11(2)5-4-6-13(14)15;1-2/h4-6,12H,3,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine?
ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine has a molecular weight of 251.39 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(2-fluoro-6-methylphenyl)piperidine is sourced from PubChem (CID 176552852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).