[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride

C16H20ClFN2OS — CID 119518600

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1.Cl
InChIInChI=1S/C16H19FN2OS.ClH/c1-10(18)11-4-6-19(7-5-11)16(20)15-9-12-8-13(17)2-3-14(12)21-15;/h2-3,8-11H,4-7,18H2,1H3;1H
InChIKeyLBZWLGMFBQZPMU-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.66
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride (PubChem CID 119518600) has the molecular formula C16H20ClFN2OS and a molecular weight of 342.87 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride
PubChem CID119518600
Molecular FormulaC16H20ClFN2OS
Molecular Weight342.87 g/mol
Exact Mass342.10
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1.Cl
InChIInChI=1S/C16H19FN2OS.ClH/c1-10(18)11-4-6-19(7-5-11)16(20)15-9-12-8-13(17)2-3-14(12)21-15;/h2-3,8-11H,4-7,18H2,1H3;1H
InChIKeyLBZWLGMFBQZPMU-UHFFFAOYSA-N
XLogP3.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-fluoro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491040
(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121186953
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 119636905
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119516664
[4-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537973
[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 126796352
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 55216485
[4-(1-aminoethyl)piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 119520582
(5-fluoro-1-benzothiophen-2-yl)-[(1S,5R)-3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 99874295

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride (CID 119518600) is [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride is CC(N)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride?
The InChIKey is LBZWLGMFBQZPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS.ClH/c1-10(18)11-4-6-19(7-5-11)16(20)15-9-12-8-13(17)2-3-14(12)21-15;/h2-3,8-11H,4-7,18H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119518600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).