3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine

C14H27FN2 — CID 165137927

IUPAC3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine
SMILESC=C(C(CC)CCN)N1CCC(F)(CC)CC1
InChIInChI=1S/C14H27FN2/c1-4-13(6-9-16)12(3)17-10-7-14(15,5-2)8-11-17/h13H,3-11,16H2,1-2H3
InChIKeySTAUPZYREPTUDF-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.09
Rot. Bonds6

About 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine

3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine (PubChem CID 165137927) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine
PubChem CID165137927
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine
SMILESC=C(C(CC)CCN)N1CCC(F)(CC)CC1
InChIInChI=1S/C14H27FN2/c1-4-13(6-9-16)12(3)17-10-7-14(15,5-2)8-11-17/h13H,3-11,16H2,1-2H3
InChIKeySTAUPZYREPTUDF-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
CID 139394923
N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine
CID 139448771
(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine
CID 153337127
N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine
CID 155274560
3-(3,3-Difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine
CID 170214625
N-(2-fluoroethyl)-1-piperidin-4-ylethenamine
CID 174338337
1-But-1-en-2-yl-3-fluoro-4-methylpiperidine
CID 177156790
1-[1-[1-(2-Fluoropropyl)piperidin-4-yl]ethenyl]piperazine
CID 178167042
1-(3-Fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine
CID 142835625
N-[(1E,5E)-4-ethyl-6-fluorohexa-1,5-dienyl]piperidin-4-amine
CID 144808674
1-But-1-en-2-yl-4-(fluoromethyl)piperidine
CID 145230952
4-Ethyl-1-(3-ethylpent-1-en-2-yl)-4-fluoropiperidine
CID 165137260

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine?
The IUPAC name of 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine (CID 165137927) is 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine.
What is the SMILES notation for 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine?
The canonical SMILES for 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine is C=C(C(CC)CCN)N1CCC(F)(CC)CC1.
What is the InChIKey of 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine?
The InChIKey is STAUPZYREPTUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-4-13(6-9-16)12(3)17-10-7-14(15,5-2)8-11-17/h13H,3-11,16H2,1-2H3.
What are the key properties of 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine?
3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine has a molecular weight of 242.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-ethyl-4-fluoropiperidin-1-yl)pent-4-en-1-amine is sourced from PubChem (CID 165137927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).