1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine

C17H27FN2 — CID 43308467

IUPAC1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
SMILESCCN1CCCC(C(C)NC(C)c2cccc(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-4-20-10-6-8-16(12-20)14(3)19-13(2)15-7-5-9-17(18)11-15/h5,7,9,11,13-14,16,19H,4,6,8,10,12H2,1-3H3
InChIKeyZKMRZWAFNJAENL-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.60
Rot. Bonds5

About 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine

1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine (PubChem CID 43308467) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
PubChem CID43308467
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
SMILESCCN1CCCC(C(C)NC(C)c2cccc(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-4-20-10-6-8-16(12-20)14(3)19-13(2)15-7-5-9-17(18)11-15/h5,7,9,11,13-14,16,19H,4,6,8,10,12H2,1-3H3
InChIKeyZKMRZWAFNJAENL-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685359
1-(1-ethylpiperidin-3-yl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43308195
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43714859
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 60928302

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine (CID 43308467) is 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine is CCN1CCCC(C(C)NC(C)c2cccc(F)c2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine?
The InChIKey is ZKMRZWAFNJAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-20-10-6-8-16(12-20)14(3)19-13(2)15-7-5-9-17(18)11-15/h5,7,9,11,13-14,16,19H,4,6,8,10,12H2,1-3H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine?
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine has a molecular weight of 278.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43308467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).