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

C12H19NS — CID 71220628

IUPAC4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCC(C)CC2)s1
InChIInChI=1S/C12H19NS/c1-10-5-7-13(8-6-10)9-12-4-3-11(2)14-12/h3-4,10H,5-9H2,1-2H3
InChIKeyLMDJUAVLVZRRHQ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.29
Rot. Bonds2

About 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine

4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine (PubChem CID 71220628) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
PubChem CID71220628
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccc(CN2CCC(C)CC2)s1
InChIInChI=1S/C12H19NS/c1-10-5-7-13(8-6-10)9-12-4-3-11(2)14-12/h3-4,10H,5-9H2,1-2H3
InChIKeyLMDJUAVLVZRRHQ-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine (CID 71220628) is 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine is Cc1ccc(CN2CCC(C)CC2)s1.
What is the InChIKey of 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is LMDJUAVLVZRRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10-5-7-13(8-6-10)9-12-4-3-11(2)14-12/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine?
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 209.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 71220628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).