1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile

C14H20N2S — CID 131903864

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile
SMILESCCc1ccc(CN2CCCC(C)(C#N)C2)s1
InChIInChI=1S/C14H20N2S/c1-3-12-5-6-13(17-12)9-16-8-4-7-14(2,10-15)11-16/h5-6H,3-4,7-9,11H2,1-2H3
InChIKeyAKVFSQQPICMVGC-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.44
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile

1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile (PubChem CID 131903864) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile
PubChem CID131903864
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile
SMILESCCc1ccc(CN2CCCC(C)(C#N)C2)s1
InChIInChI=1S/C14H20N2S/c1-3-12-5-6-13(17-12)9-16-8-4-7-14(2,10-15)11-16/h5-6H,3-4,7-9,11H2,1-2H3
InChIKeyAKVFSQQPICMVGC-UHFFFAOYSA-N
XLogP3.44
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64872068
3-cyclopropyl-1-[(5-ethylthiophen-2-yl)methyl]-3-methyl-1,4-diazepane
CID 64872286
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methylpiperidine-3-carbonitrile
CID 131925287
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
CID 79674102
3,3-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 64869758
1-[[4-(furan-2-yl)phenyl]methyl]-3-methylpiperidine-3-carbonitrile
CID 131903355
3-[(3-cyano-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 131906181
1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 24704411
N-[[5-[(3,3-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556953
2-(3-cyano-3-methylpiperidin-1-yl)acetamide
CID 130666840
3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
CID 131945394

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile (CID 131903864) is 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile is CCc1ccc(CN2CCCC(C)(C#N)C2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile?
The InChIKey is AKVFSQQPICMVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-12-5-6-13(17-12)9-16-8-4-7-14(2,10-15)11-16/h5-6H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile?
1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile has a molecular weight of 248.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 131903864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).