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

C12H19NOS — CID 54793852

IUPAC[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
SMILESCc1ccsc1CN1CCCC(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
InChIKeyYAVAYSSMCMOASS-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.26
Rot. Bonds3

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

[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 54793852) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID54793852
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
SMILESCc1ccsc1CN1CCCC(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
InChIKeyYAVAYSSMCMOASS-UHFFFAOYSA-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

Analyze [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 129359759
[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 [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol (CID 54793852) is [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol is Cc1ccsc1CN1CCCC(CO)C1.
What is the InChIKey of [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is YAVAYSSMCMOASS-UHFFFAOYSA-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.
What are the key properties of [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
[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 [1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 54793852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).