5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde

C13H19NOS — CID 103497726

IUPAC5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde
SMILESCC(C)C1CCN(c2ccc(C=O)s2)CC1
InChIInChI=1S/C13H19NOS/c1-10(2)11-5-7-14(8-6-11)13-4-3-12(9-15)16-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyJQPRCCCFGHDBSM-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.43
Rot. Bonds3

About 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde

5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde (PubChem CID 103497726) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde
PubChem CID103497726
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde
SMILESCC(C)C1CCN(c2ccc(C=O)s2)CC1
InChIInChI=1S/C13H19NOS/c1-10(2)11-5-7-14(8-6-11)13-4-3-12(9-15)16-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyJQPRCCCFGHDBSM-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde (CID 103497726) is 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde is CC(C)C1CCN(c2ccc(C=O)s2)CC1.
What is the InChIKey of 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde?
The InChIKey is JQPRCCCFGHDBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(2)11-5-7-14(8-6-11)13-4-3-12(9-15)16-13/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde?
5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde has a molecular weight of 237.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylpiperidin-1-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 103497726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).