N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine

C14H21FN2 — CID 63155839

IUPACN-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine
SMILESCCN(c1cccc(F)c1)C1CCC(C)NC1
InChIInChI=1S/C14H21FN2/c1-3-17(13-6-4-5-12(15)9-13)14-8-7-11(2)16-10-14/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3
InChIKeyWXNPZXYIFWGJJO-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.79
Rot. Bonds3

About N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine

N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine (PubChem CID 63155839) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine
PubChem CID63155839
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine
SMILESCCN(c1cccc(F)c1)C1CCC(C)NC1
InChIInChI=1S/C14H21FN2/c1-3-17(13-6-4-5-12(15)9-13)14-8-7-11(2)16-10-14/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3
InChIKeyWXNPZXYIFWGJJO-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine (CID 63155839) is N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine is CCN(c1cccc(F)c1)C1CCC(C)NC1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine?
The InChIKey is WXNPZXYIFWGJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-17(13-6-4-5-12(15)9-13)14-8-7-11(2)16-10-14/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine?
N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-6-methylpiperidin-3-amine is sourced from PubChem (CID 63155839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).