3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol

C16H24N2OS — CID 164632155

IUPAC3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCCN1CCCC[C@@H]1CNCc1cc(C#CCO)cs1
InChIInChI=1S/C16H24N2OS/c1-2-18-8-4-3-7-15(18)11-17-12-16-10-14(13-20-16)6-5-9-19/h10,13,15,17,19H,2-4,7-9,11-12H2,1H3/t15-/m1/s1
InChIKeyFRFPCQMZXBJXCT-OAHLLOKOSA-N
MW292.45 g/mol
LogP2.06
Rot. Bonds5

About 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 164632155) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID164632155
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCCN1CCCC[C@@H]1CNCc1cc(C#CCO)cs1
InChIInChI=1S/C16H24N2OS/c1-2-18-8-4-3-7-15(18)11-17-12-16-10-14(13-20-16)6-5-9-19/h10,13,15,17,19H,2-4,7-9,11-12H2,1H3/t15-/m1/s1
InChIKeyFRFPCQMZXBJXCT-OAHLLOKOSA-N
XLogP2.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol with MolForge

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Related Compounds

1-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428556
3-(5-{[(2-Azepan-1-ylethyl)(methyl)amino]methyl}-3-thienyl)prop-2-yn-1-ol
CID 131908500
2-[4-[(3-Methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 779464
3-{5-[(4-Cyclohexyl-1,4-diazepan-1-yl)methyl]-3-thienyl}prop-2-yn-1-ol
CID 50970091
3-[5-(3,9-Diazaspiro[5.6]dodec-9-ylmethyl)-3-thienyl]prop-2-yn-1-ol
CID 56708738
2-[1-(2-Thienylmethyl)-2-piperazinyl]ethanol
CID 44236871
3-[5-[[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 99931189
(2S)-N-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 100151976
(3S)-N-[(3-methylthiophen-2-yl)methyl]-N-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 164633855
3-[5-[[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636045
2-{1-(3-Methyl-2-buten-1-yl)-4-[(3-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 45220980
3-[5-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 29151909

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 164632155) is 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol is CCN1CCCC[C@@H]1CNCc1cc(C#CCO)cs1.
What is the InChIKey of 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is FRFPCQMZXBJXCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-18-8-4-3-7-15(18)11-17-12-16-10-14(13-20-16)6-5-9-19/h10,13,15,17,19H,2-4,7-9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 292.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[[(2R)-1-ethylpiperidin-2-yl]methylamino]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 164632155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).