1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine

C17H27FN2 — CID 63156273

IUPAC1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
SMILESCCC1(C)CCN(C(c2ccccc2F)C(C)N)CC1
InChIInChI=1S/C17H27FN2/c1-4-17(3)9-11-20(12-10-17)16(13(2)19)14-7-5-6-8-15(14)18/h5-8,13,16H,4,9-12,19H2,1-3H3
InChIKeyJGDJOWLNEGHRDP-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine

1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 63156273) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
PubChem CID63156273
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
SMILESCCC1(C)CCN(C(c2ccccc2F)C(C)N)CC1
InChIInChI=1S/C17H27FN2/c1-4-17(3)9-11-20(12-10-17)16(13(2)19)14-7-5-6-8-15(14)18/h5-8,13,16H,4,9-12,19H2,1-3H3
InChIKeyJGDJOWLNEGHRDP-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methoxyphenyl)propan-2-amine
CID 63156671
1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 62773806
1-(4-ethyl-4-methylpiperidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 55166215
1-(2-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55018678
1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine
CID 107390723
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
1-(2-ethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018636
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)propan-2-amine
CID 104957874
1-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018870
1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63605368
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine (CID 63156273) is 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine is CCC1(C)CCN(C(c2ccccc2F)C(C)N)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is JGDJOWLNEGHRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-17(3)9-11-20(12-10-17)16(13(2)19)14-7-5-6-8-15(14)18/h5-8,13,16H,4,9-12,19H2,1-3H3.
What are the key properties of 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63156273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).