(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine

C16H25FN2 — CID 55190679

IUPAC(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
SMILESCCCC1CCN(c2ccc([C@H](C)N)cc2F)CC1
InChIInChI=1S/C16H25FN2/c1-3-4-13-7-9-19(10-8-13)16-6-5-14(12(2)18)11-15(16)17/h5-6,11-13H,3-4,7-10,18H2,1-2H3/t12-/m0/s1
InChIKeyLOVWILVUWUSNEJ-LBPRGKRZSA-N
MW264.39 g/mol
LogP3.86
Rot. Bonds4

About (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 55190679) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
PubChem CID55190679
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
SMILESCCCC1CCN(c2ccc([C@H](C)N)cc2F)CC1
InChIInChI=1S/C16H25FN2/c1-3-4-13-7-9-19(10-8-13)16-6-5-14(12(2)18)11-15(16)17/h5-6,11-13H,3-4,7-10,18H2,1-2H3/t12-/m0/s1
InChIKeyLOVWILVUWUSNEJ-LBPRGKRZSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
(1S)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanamine
CID 78992773
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 43584596
(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 55188508
(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807
2-[1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]oxyethanol
CID 82691104
(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 28787551
(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-fluorophenyl]ethanamine
CID 113335787

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine (CID 55190679) is (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine is CCCC1CCN(c2ccc([C@H](C)N)cc2F)CC1.
What is the InChIKey of (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is LOVWILVUWUSNEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-4-13-7-9-19(10-8-13)16-6-5-14(12(2)18)11-15(16)17/h5-6,11-13H,3-4,7-10,18H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 55190679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).