[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol

C12H19NOS — CID 98084280

IUPAC[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
SMILESC[C@@H](c1cccs1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C12H19NOS/c1-10(12-5-3-7-15-12)13-6-2-4-11(8-13)9-14/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3/t10-,11+/m0/s1
InChIKeySVUOSTNVDSJTFU-WDEREUQCSA-N
MW225.36 g/mol
LogP2.51
Rot. Bonds3

About [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol

[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol (PubChem CID 98084280) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
PubChem CID98084280
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
SMILESC[C@@H](c1cccs1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C12H19NOS/c1-10(12-5-3-7-15-12)13-6-2-4-11(8-13)9-14/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3/t10-,11+/m0/s1
InChIKeySVUOSTNVDSJTFU-WDEREUQCSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
CID 55021860
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
CID 97175553
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43422177
[(3S)-1-[1-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-5-yl)ethyl]piperidin-3-yl]methanol
CID 146285035
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine
CID 114910251

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol (CID 98084280) is [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol is C[C@@H](c1cccs1)N1CCC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol?
The InChIKey is SVUOSTNVDSJTFU-WDEREUQCSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(12-5-3-7-15-12)13-6-2-4-11(8-13)9-14/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol?
[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol has a molecular weight of 225.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 98084280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).