2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol

C15H22N2OS — CID 107228601

IUPAC2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol
SMILESNCC#Cc1ccsc1CN1CCCC(CCO)C1
InChIInChI=1S/C15H22N2OS/c16-7-1-4-14-6-10-19-15(14)12-17-8-2-3-13(11-17)5-9-18/h6,10,13,18H,2-3,5,7-9,11-12,16H2
InChIKeyOPOSXNOWQBTFBL-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.65
Rot. Bonds4

About 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol

2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol (PubChem CID 107228601) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol
PubChem CID107228601
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol
SMILESNCC#Cc1ccsc1CN1CCCC(CCO)C1
InChIInChI=1S/C15H22N2OS/c16-7-1-4-14-6-10-19-15(14)12-17-8-2-3-13(11-17)5-9-18/h6,10,13,18H,2-3,5,7-9,11-12,16H2
InChIKeyOPOSXNOWQBTFBL-UHFFFAOYSA-N
XLogP1.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol with MolForge

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Related Compounds

4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107228623
3-[2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 114799675
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 120846234
2-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097111
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233
1-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 62941734
3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 63634674
3-[2-[(4-methylazepan-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 63623385
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852
[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 129359759
4-[2-[(3,4-dimethylpiperazin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 63634507
4-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62972395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol (CID 107228601) is 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol is NCC#Cc1ccsc1CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol?
The InChIKey is OPOSXNOWQBTFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-7-1-4-14-6-10-19-15(14)12-17-8-2-3-13(11-17)5-9-18/h6,10,13,18H,2-3,5,7-9,11-12,16H2.
What are the key properties of 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol?
2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol has a molecular weight of 278.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).