4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide

C12H19N3S — CID 107162129

IUPAC4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2ccsc2)CC1
InChIInChI=1S/C12H19N3S/c1-12(11(13)14)3-5-15(6-4-12)8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3,(H3,13,14)
InChIKeyVTTZJLQUFWSYAV-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.29
Rot. Bonds3

About 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide

4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide (PubChem CID 107162129) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
PubChem CID107162129
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2ccsc2)CC1
InChIInChI=1S/C12H19N3S/c1-12(11(13)14)3-5-15(6-4-12)8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3,(H3,13,14)
InChIKeyVTTZJLQUFWSYAV-UHFFFAOYSA-N
XLogP2.29
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
N'-hydroxy-4-methylsulfanyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 77108644
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
CID 107162057
4-methyl-1-(2-thiophen-3-ylethyl)piperidine-4-carbothioamide
CID 107161580
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107161957
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162068
(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63122301
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 110268312

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide (CID 107162129) is 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2ccsc2)CC1.
What is the InChIKey of 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide?
The InChIKey is VTTZJLQUFWSYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-12(11(13)14)3-5-15(6-4-12)8-10-2-7-16-9-10/h2,7,9H,3-6,8H2,1H3,(H3,13,14).
What are the key properties of 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide?
4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide has a molecular weight of 237.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).