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

C12H19NOS — CID 2843228

IUPAC[1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol
SMILESCc1ccsc1CN1CCCCC1CO
InChIInChI=1S/C12H19NOS/c1-10-5-7-15-12(10)8-13-6-3-2-4-11(13)9-14/h5,7,11,14H,2-4,6,8-9H2,1H3
InChIKeyXBSMVLGKOWEKGZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.40
Rot. Bonds3

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

[1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol (PubChem CID 2843228) 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-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol
PubChem CID2843228
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol
SMILESCc1ccsc1CN1CCCCC1CO
InChIInChI=1S/C12H19NOS/c1-10-5-7-15-12(10)8-13-6-3-2-4-11(13)9-14/h5,7,11,14H,2-4,6,8-9H2,1H3
InChIKeyXBSMVLGKOWEKGZ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol (CID 2843228) is [1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol is Cc1ccsc1CN1CCCCC1CO.
What is the InChIKey of [1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is XBSMVLGKOWEKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-5-7-15-12(10)8-13-6-3-2-4-11(13)9-14/h5,7,11,14H,2-4,6,8-9H2,1H3.
What are the key properties of [1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol?
[1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 225.36 g/mol, XLogP of 2.40, 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-2-yl]methanol is sourced from PubChem (CID 2843228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).