2,2-dimethyl-3-piperidin-1-ylpropanal

C10H19NO — CID 3135970

IUPAC2,2-dimethyl-3-piperidin-1-ylpropanal
SMILESCC(C)(C=O)CN1CCCCC1
InChIInChI=1S/C10H19NO/c1-10(2,9-12)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKeyVWOLCOPMYXCKGO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds3

About 2,2-dimethyl-3-piperidin-1-ylpropanal

2,2-dimethyl-3-piperidin-1-ylpropanal (PubChem CID 3135970) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-piperidin-1-ylpropanal.

Molecular Properties

Compound Name2,2-dimethyl-3-piperidin-1-ylpropanal
PubChem CID3135970
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-3-piperidin-1-ylpropanal
SMILESCC(C)(C=O)CN1CCCCC1
InChIInChI=1S/C10H19NO/c1-10(2,9-12)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3
InChIKeyVWOLCOPMYXCKGO-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
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 2,2-dimethyl-3-piperidin-1-ylpropanal?
The IUPAC name of 2,2-dimethyl-3-piperidin-1-ylpropanal (CID 3135970) is 2,2-dimethyl-3-piperidin-1-ylpropanal.
What is the SMILES notation for 2,2-dimethyl-3-piperidin-1-ylpropanal?
The canonical SMILES for 2,2-dimethyl-3-piperidin-1-ylpropanal is CC(C)(C=O)CN1CCCCC1.
What is the InChIKey of 2,2-dimethyl-3-piperidin-1-ylpropanal?
The InChIKey is VWOLCOPMYXCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,9-12)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-piperidin-1-ylpropanal?
2,2-dimethyl-3-piperidin-1-ylpropanal has a molecular weight of 169.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-piperidin-1-ylpropanal is sourced from PubChem (CID 3135970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).