[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride

C18H29ClN2OS — CID 119519335

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-14(19)15-7-11-20(12-8-15)17(21)18(9-3-2-4-10-18)16-6-5-13-22-16;/h5-6,13-15H,2-4,7-12,19H2,1H3;1H
InChIKeyONWUZHFOCGPDGC-UHFFFAOYSA-N
MW356.96 g/mol
LogP3.96
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride (PubChem CID 119519335) has the molecular formula C18H29ClN2OS and a molecular weight of 356.96 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
PubChem CID119519335
Molecular FormulaC18H29ClN2OS
Molecular Weight356.96 g/mol
Exact Mass356.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-14(19)15-7-11-20(12-8-15)17(21)18(9-3-2-4-10-18)16-6-5-13-22-16;/h5-6,13-15H,2-4,7-12,19H2,1H3;1H
InChIKeyONWUZHFOCGPDGC-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

[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119517732
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
CID 42435336
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
CID 119519076
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride (CID 119519335) is [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride is CC(N)C1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride?
The InChIKey is ONWUZHFOCGPDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS.ClH/c1-14(19)15-7-11-20(12-8-15)17(21)18(9-3-2-4-10-18)16-6-5-13-22-16;/h5-6,13-15H,2-4,7-12,19H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride?
[4-(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 [4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride is sourced from PubChem (CID 119519335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).