(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine

C17H27FN2 — CID 78936860

IUPAC(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
SMILESCCC1(CC)CCN(c2cccc(F)c2[C@H](C)N)CC1
InChIInChI=1S/C17H27FN2/c1-4-17(5-2)9-11-20(12-10-17)15-8-6-7-14(18)16(15)13(3)19/h6-8,13H,4-5,9-12,19H2,1-3H3/t13-/m0/s1
InChIKeyNVRRLCLBHQFWNF-ZDUSSCGKSA-N
MW278.42 g/mol
LogP4.25
Rot. Bonds4

About (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine

(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine (PubChem CID 78936860) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
PubChem CID78936860
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
SMILESCCC1(CC)CCN(c2cccc(F)c2[C@H](C)N)CC1
InChIInChI=1S/C17H27FN2/c1-4-17(5-2)9-11-20(12-10-17)15-8-6-7-14(18)16(15)13(3)19/h6-8,13H,4-5,9-12,19H2,1-3H3/t13-/m0/s1
InChIKeyNVRRLCLBHQFWNF-ZDUSSCGKSA-N
XLogP4.25
TPSA29.26 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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
1-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974495
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
(1S)-1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 78935058
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62993795
4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
CID 63549434

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine (CID 78936860) is (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine is CCC1(CC)CCN(c2cccc(F)c2[C@H](C)N)CC1.
What is the InChIKey of (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The InChIKey is NVRRLCLBHQFWNF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-17(5-2)9-11-20(12-10-17)15-8-6-7-14(18)16(15)13(3)19/h6-8,13H,4-5,9-12,19H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 78936860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).