[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol

C13H22N2OS — CID 55021860

IUPAC[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
SMILESCC(N)C(c1cccs1)N1CCCC(CO)C1
InChIInChI=1S/C13H22N2OS/c1-10(14)13(12-5-3-7-17-12)15-6-2-4-11(8-15)9-16/h3,5,7,10-11,13,16H,2,4,6,8-9,14H2,1H3
InChIKeyLPFDIAXIPVWIBG-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.84
Rot. Bonds4

About [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol

[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol (PubChem CID 55021860) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
PubChem CID55021860
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
SMILESCC(N)C(c1cccs1)N1CCCC(CO)C1
InChIInChI=1S/C13H22N2OS/c1-10(14)13(12-5-3-7-17-12)15-6-2-4-11(8-15)9-16/h3,5,7,10-11,13,16H,2,4,6,8-9,14H2,1H3
InChIKeyLPFDIAXIPVWIBG-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
CID 97175553
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
2-(2-methyl-1-thiophen-2-ylpropyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939013
[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51862509
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43422177
1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone
CID 55022240

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol (CID 55021860) is [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol is CC(N)C(c1cccs1)N1CCCC(CO)C1.
What is the InChIKey of [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol?
The InChIKey is LPFDIAXIPVWIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(14)13(12-5-3-7-17-12)15-6-2-4-11(8-15)9-16/h3,5,7,10-11,13,16H,2,4,6,8-9,14H2,1H3.
What are the key properties of [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol?
[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 55021860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).