[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol

C12H19NOS — CID 129359759

IUPAC[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
SMILESCc1ccsc1CN1CCC[C@@H](CO)C1
InChIInChI=1S/C12H19NOS/c1-10-4-6-15-12(10)8-13-5-2-3-11(7-13)9-14/h4,6,11,14H,2-3,5,7-9H2,1H3/t11-/m1/s1
InChIKeyYAVAYSSMCMOASS-LLVKDONJSA-N
MW225.36 g/mol
LogP2.26
Rot. Bonds3

About [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol

[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 129359759) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID129359759
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
SMILESCc1ccsc1CN1CCC[C@@H](CO)C1
InChIInChI=1S/C12H19NOS/c1-10-4-6-15-12(10)8-13-5-2-3-11(7-13)9-14/h4,6,11,14H,2-3,5,7-9H2,1H3/t11-/m1/s1
InChIKeyYAVAYSSMCMOASS-LLVKDONJSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852
[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068987
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124958349
(3R,4R)-4-(azepan-1-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 29000867
4-[(3-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74230280
1-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552734
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 120846234
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 111442430
4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107228623
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol (CID 129359759) is [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol is Cc1ccsc1CN1CCC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is YAVAYSSMCMOASS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-4-6-15-12(10)8-13-5-2-3-11(7-13)9-14/h4,6,11,14H,2-3,5,7-9H2,1H3/t11-/m1/s1.
What are the key properties of [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 225.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 129359759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).