[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride

C16H21ClN2OS — CID 120727554

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C16H20N2OS.ClH/c17-8-7-12-4-3-9-18(11-12)16(19)15-10-13-5-1-2-6-14(13)20-15;/h1-2,5-6,10,12H,3-4,7-9,11,17H2;1H
InChIKeySXFGKFQMUZOMPL-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.52
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride

[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride (PubChem CID 120727554) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
PubChem CID120727554
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C16H20N2OS.ClH/c17-8-7-12-4-3-9-18(11-12)16(19)15-10-13-5-1-2-6-14(13)20-15;/h1-2,5-6,10,12H,3-4,7-9,11,17H2;1H
InChIKeySXFGKFQMUZOMPL-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 65238887
[(3S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125154744
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
1-benzothiophen-2-yl-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 114683536
[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 107356517
[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69453906
1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122160949
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
[3-(bromomethyl)piperidin-1-yl]-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104825

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride (CID 120727554) is [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride is Cl.NCCC1CCCN(C(=O)c2cc3ccccc3s2)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride?
The InChIKey is SXFGKFQMUZOMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c17-8-7-12-4-3-9-18(11-12)16(19)15-10-13-5-1-2-6-14(13)20-15;/h1-2,5-6,10,12H,3-4,7-9,11,17H2;1H.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride?
[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120727554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).