1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine

C17H27FN2 — CID 62330685

IUPAC1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1N1CCC(C)CC1C
InChIInChI=1S/C17H27FN2/c1-5-19-14(4)17-15(18)7-6-8-16(17)20-10-9-12(2)11-13(20)3/h6-8,12-14,19H,5,9-11H2,1-4H3
InChIKeyXDJFQIVVERVQQK-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.12
Rot. Bonds4

About 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine

1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine (PubChem CID 62330685) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine
PubChem CID62330685
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1N1CCC(C)CC1C
InChIInChI=1S/C17H27FN2/c1-5-19-14(4)17-15(18)7-6-8-16(17)20-10-9-12(2)11-13(20)3/h6-8,12-14,19H,5,9-11H2,1-4H3
InChIKeyXDJFQIVVERVQQK-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Desipramine
CID 2995
Desipramine Hydrochloride
CID 65327
1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
Bamipine
CID 72075
Dicarbine
CID 65684
N,N'-Di-o-tolylethylenediamine
CID 66759
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
1,2,3,4-Tetrahydroquinoline
CID 69460
Didesmethylimipramine
CID 159642
Benzenamine, N-ethyl-2-methyl-
CID 7201
Metapramine
CID 65700
Despropionyl meta-fluorofentanyl
CID 23741730

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine (CID 62330685) is 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine is CCNC(C)c1c(F)cccc1N1CCC(C)CC1C.
What is the InChIKey of 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine?
The InChIKey is XDJFQIVVERVQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-19-14(4)17-15(18)7-6-8-16(17)20-10-9-12(2)11-13(20)3/h6-8,12-14,19H,5,9-11H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine?
1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine has a molecular weight of 278.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylpiperidin-1-yl)-6-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 62330685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).