4-thiophen-2-ylpiperidine-1-carbaldehyde

C10H13NOS — CID 89385438

IUPAC4-thiophen-2-ylpiperidine-1-carbaldehyde
SMILESO=CN1CCC(c2cccs2)CC1
InChIInChI=1S/C10H13NOS/c12-8-11-5-3-9(4-6-11)10-2-1-7-13-10/h1-2,7-9H,3-6H2
InChIKeyCDLMKFHBABCIMI-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.08
Rot. Bonds2

About 4-thiophen-2-ylpiperidine-1-carbaldehyde

4-thiophen-2-ylpiperidine-1-carbaldehyde (PubChem CID 89385438) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-thiophen-2-ylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-thiophen-2-ylpiperidine-1-carbaldehyde
PubChem CID89385438
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name4-thiophen-2-ylpiperidine-1-carbaldehyde
SMILESO=CN1CCC(c2cccs2)CC1
InChIInChI=1S/C10H13NOS/c12-8-11-5-3-9(4-6-11)10-2-1-7-13-10/h1-2,7-9H,3-6H2
InChIKeyCDLMKFHBABCIMI-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylpiperidine-1-carbaldehyde?
The IUPAC name of 4-thiophen-2-ylpiperidine-1-carbaldehyde (CID 89385438) is 4-thiophen-2-ylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-thiophen-2-ylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-thiophen-2-ylpiperidine-1-carbaldehyde is O=CN1CCC(c2cccs2)CC1.
What is the InChIKey of 4-thiophen-2-ylpiperidine-1-carbaldehyde?
The InChIKey is CDLMKFHBABCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-8-11-5-3-9(4-6-11)10-2-1-7-13-10/h1-2,7-9H,3-6H2.
What are the key properties of 4-thiophen-2-ylpiperidine-1-carbaldehyde?
4-thiophen-2-ylpiperidine-1-carbaldehyde has a molecular weight of 195.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylpiperidine-1-carbaldehyde is sourced from PubChem (CID 89385438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).