4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine

C12H18N2S — CID 71639030

IUPAC4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
SMILESCc1ccnc(SCC2CCCNC2)c1
InChIInChI=1S/C12H18N2S/c1-10-4-6-14-12(7-10)15-9-11-3-2-5-13-8-11/h4,6-7,11,13H,2-3,5,8-9H2,1H3
InChIKeyFQKIWBPQAMVUCI-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.48
Rot. Bonds3

About 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine

4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine (PubChem CID 71639030) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
PubChem CID71639030
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
SMILESCc1ccnc(SCC2CCCNC2)c1
InChIInChI=1S/C12H18N2S/c1-10-4-6-14-12(7-10)15-9-11-3-2-5-13-8-11/h4,6-7,11,13H,2-3,5,8-9H2,1H3
InChIKeyFQKIWBPQAMVUCI-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
4-methyl-2-(3-piperidin-3-ylpropoxy)pyridine;hydrochloride
CID 71638615
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyridine
CID 94408883
3-chloro-6-[[(3R)-piperidin-3-yl]methylsulfanyl]pyridazine
CID 97163686
2-[[(3R)-piperidin-3-yl]methylsulfanyl]quinoxaline
CID 97178445
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine?
The IUPAC name of 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine (CID 71639030) is 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine?
The canonical SMILES for 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine is Cc1ccnc(SCC2CCCNC2)c1.
What is the InChIKey of 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine?
The InChIKey is FQKIWBPQAMVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-10-4-6-14-12(7-10)15-9-11-3-2-5-13-8-11/h4,6-7,11,13H,2-3,5,8-9H2,1H3.
What are the key properties of 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine?
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine has a molecular weight of 222.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 71639030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).