N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide

C14H23N3S — CID 111065039

IUPACN'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCCc1ccc(C/N=C(\N)N2CCCC(C)C2)s1
InChIInChI=1S/C14H23N3S/c1-3-12-6-7-13(18-12)9-16-14(15)17-8-4-5-11(2)10-17/h6-7,11H,3-5,8-10H2,1-2H3,(H2,15,16)
InChIKeyNKJMHNXXSPXINK-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.86
Rot. Bonds3

About N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide

N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111065039) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111065039
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCCc1ccc(C/N=C(\N)N2CCCC(C)C2)s1
InChIInChI=1S/C14H23N3S/c1-3-12-6-7-13(18-12)9-16-14(15)17-8-4-5-11(2)10-17/h6-7,11H,3-5,8-10H2,1-2H3,(H2,15,16)
InChIKeyNKJMHNXXSPXINK-UHFFFAOYSA-N
XLogP2.86
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144482
N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111817351
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide
CID 122097184
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide (CID 111065039) is N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide is CCc1ccc(C/N=C(\N)N2CCCC(C)C2)s1.
What is the InChIKey of N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is NKJMHNXXSPXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-12-6-7-13(18-12)9-16-14(15)17-8-4-5-11(2)10-17/h6-7,11H,3-5,8-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 265.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111065039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).