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

C18H29ClN2OS — CID 119595244

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-14(19)15-7-5-11-20(13-15)17(21)18(9-3-2-4-10-18)16-8-6-12-22-16;/h6,8,12,14-15H,2-5,7,9-11,13,19H2,1H3;1H
InChIKeyYRMMKWSNGAUUBO-UHFFFAOYSA-N
MW356.96 g/mol
LogP3.96
Rot. Bonds3

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

[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride (PubChem CID 119595244) has the molecular formula C18H29ClN2OS and a molecular weight of 356.96 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
PubChem CID119595244
Molecular FormulaC18H29ClN2OS
Molecular Weight356.96 g/mol
Exact Mass356.17
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-14(19)15-7-5-11-20(13-15)17(21)18(9-3-2-4-10-18)16-8-6-12-22-16;/h6,8,12,14-15H,2-5,7,9-11,13,19H2,1H3;1H
InChIKeyYRMMKWSNGAUUBO-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone
CID 119593530
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122260878
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849723
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849724

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride (CID 119595244) is [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride is CC(N)C1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride?
The InChIKey is YRMMKWSNGAUUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS.ClH/c1-14(19)15-7-5-11-20(13-15)17(21)18(9-3-2-4-10-18)16-8-6-12-22-16;/h6,8,12,14-15H,2-5,7,9-11,13,19H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride has a molecular weight of 356.96 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride is sourced from PubChem (CID 119595244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).