N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide

C14H23N3S — CID 111209931

IUPACN-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccs1)N1CCC(C)CC1
InChIInChI=1S/C14H23N3S/c1-3-15-14(16-11-13-5-4-10-18-13)17-8-6-12(2)7-9-17/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,15,16)
InChIKeyIHXCSHVPYGODBE-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.95
Rot. Bonds3

About N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide

N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111209931) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
PubChem CID111209931
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccs1)N1CCC(C)CC1
InChIInChI=1S/C14H23N3S/c1-3-15-14(16-11-13-5-4-10-18-13)17-8-6-12(2)7-9-17/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,15,16)
InChIKeyIHXCSHVPYGODBE-UHFFFAOYSA-N
XLogP2.95
TPSA27.63 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 ≤ 52.95
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-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110955756
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
1-ethyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257259
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 109448637
N-ethyl-3,3-dimethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739927
N-ethyl-4-(4-methoxyphenyl)-N'-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 111242137
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258880
N-ethyl-4-phenoxy-N'-(2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 109426946
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453208
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide (CID 111209931) is N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide is CCN/C(=N\Cc1cccs1)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is IHXCSHVPYGODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-15-14(16-11-13-5-4-10-18-13)17-8-6-12(2)7-9-17/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 265.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111209931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).