4-[(5-methylthiophen-2-yl)methyl]piperidine

C11H17NS — CID 83685814

IUPAC4-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CC2CCNCC2)s1
InChIInChI=1S/C11H17NS/c1-9-2-3-11(13-9)8-10-4-6-12-7-5-10/h2-3,10,12H,4-8H2,1H3
InChIKeyMKJBSIWXTUOMHD-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.60
Rot. Bonds2

About 4-[(5-methylthiophen-2-yl)methyl]piperidine

4-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 83685814) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID83685814
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CC2CCNCC2)s1
InChIInChI=1S/C11H17NS/c1-9-2-3-11(13-9)8-10-4-6-12-7-5-10/h2-3,10,12H,4-8H2,1H3
InChIKeyMKJBSIWXTUOMHD-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707515
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 62056399
N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 63006349
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119304582
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
4-(5-methylthiophen-2-yl)azepane
CID 83260945
2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 105464466
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-[(5-methylthiophen-2-yl)methyl]piperidine (CID 83685814) is 4-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-[(5-methylthiophen-2-yl)methyl]piperidine is Cc1ccc(CC2CCNCC2)s1.
What is the InChIKey of 4-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is MKJBSIWXTUOMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-9-2-3-11(13-9)8-10-4-6-12-7-5-10/h2-3,10,12H,4-8H2,1H3.
What are the key properties of 4-[(5-methylthiophen-2-yl)methyl]piperidine?
4-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 195.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 83685814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).