2-thiophen-2-ylpiperidine-1-carbaldehyde

C10H13NOS — CID 12870953

IUPAC2-thiophen-2-ylpiperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1cccs1
InChIInChI=1S/C10H13NOS/c12-8-11-6-2-1-4-9(11)10-5-3-7-13-10/h3,5,7-9H,1-2,4,6H2
InChIKeyBYIAOHWOVZELOT-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.43
Rot. Bonds2

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

2-thiophen-2-ylpiperidine-1-carbaldehyde (PubChem CID 12870953) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-thiophen-2-ylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-thiophen-2-ylpiperidine-1-carbaldehyde
PubChem CID12870953
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-thiophen-2-ylpiperidine-1-carbaldehyde
SMILESO=CN1CCCCC1c1cccs1
InChIInChI=1S/C10H13NOS/c12-8-11-6-2-1-4-9(11)10-5-3-7-13-10/h3,5,7-9H,1-2,4,6H2
InChIKeyBYIAOHWOVZELOT-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-thiophen-2-ylpiperidine-1-carbaldehyde
CID 89385438
1-(benzenesulfonyl)-2-thiophen-2-ylazepane
CID 22586782
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde
CID 124500754
(2S)-1-benzylsulfonyl-2-thiophen-2-ylazepane
CID 92502875
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829
2-(2-ethylphenyl)azepane-1-carbaldehyde
CID 146193885
(2R)-1-tert-butylsulfinyl-2-thiophen-2-ylpyrrolidine
CID 67330407
ethyl (E)-2-cyano-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]prop-2-enoate
CID 6929484
(2R)-1-(2-methylphenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502924
(2S)-1-[(4-bromophenyl)methyl]-2-thiophen-2-ylazepane
CID 92878093

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylpiperidine-1-carbaldehyde?
The IUPAC name of 2-thiophen-2-ylpiperidine-1-carbaldehyde (CID 12870953) is 2-thiophen-2-ylpiperidine-1-carbaldehyde.
What is the SMILES notation for 2-thiophen-2-ylpiperidine-1-carbaldehyde?
The canonical SMILES for 2-thiophen-2-ylpiperidine-1-carbaldehyde is O=CN1CCCCC1c1cccs1.
What is the InChIKey of 2-thiophen-2-ylpiperidine-1-carbaldehyde?
The InChIKey is BYIAOHWOVZELOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-8-11-6-2-1-4-9(11)10-5-3-7-13-10/h3,5,7-9H,1-2,4,6H2.
What are the key properties of 2-thiophen-2-ylpiperidine-1-carbaldehyde?
2-thiophen-2-ylpiperidine-1-carbaldehyde has a molecular weight of 195.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpiperidine-1-carbaldehyde is sourced from PubChem (CID 12870953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).