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

C13H21NOS — CID 115882917

IUPAC[3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
SMILESCc1ccsc1CN1CCCC(C)(CO)C1
InChIInChI=1S/C13H21NOS/c1-11-4-7-16-12(11)8-14-6-3-5-13(2,9-14)10-15/h4,7,15H,3,5-6,8-10H2,1-2H3
InChIKeyZSQFEYNEAHOJIL-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.65
Rot. Bonds3

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

[3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 115882917) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID115882917
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name[3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
SMILESCc1ccsc1CN1CCCC(C)(CO)C1
InChIInChI=1S/C13H21NOS/c1-11-4-7-16-12(11)8-14-6-3-5-13(2,9-14)10-15/h4,7,15H,3,5-6,8-10H2,1-2H3
InChIKeyZSQFEYNEAHOJIL-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol (CID 115882917) is [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol is Cc1ccsc1CN1CCCC(C)(CO)C1.
What is the InChIKey of [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is ZSQFEYNEAHOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11-4-7-16-12(11)8-14-6-3-5-13(2,9-14)10-15/h4,7,15H,3,5-6,8-10H2,1-2H3.
What are the key properties of [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol?
[3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 239.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 115882917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).