1-[(5-methylthiophen-2-yl)methyl]piperidine

C11H17NS — CID 71347301

IUPAC1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCCCC2)s1
InChIInChI=1S/C11H17NS/c1-10-5-6-11(13-10)9-12-7-3-2-4-8-12/h5-6H,2-4,7-9H2,1H3
InChIKeyMMSZMMZGKIOJBK-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.04
Rot. Bonds2

About 1-[(5-methylthiophen-2-yl)methyl]piperidine

1-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 71347301) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID71347301
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCCCC2)s1
InChIInChI=1S/C11H17NS/c1-10-5-6-11(13-10)9-12-7-3-2-4-8-12/h5-6H,2-4,7-9H2,1H3
InChIKeyMMSZMMZGKIOJBK-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]piperidine (CID 71347301) is 1-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]piperidine is Cc1ccc(CN2CCCCC2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is MMSZMMZGKIOJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-10-5-6-11(13-10)9-12-7-3-2-4-8-12/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]piperidine?
1-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 195.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 71347301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).