4-(2-methylpropyl)piperidine-1-carbaldehyde

C10H19NO — CID 59131388

IUPAC4-(2-methylpropyl)piperidine-1-carbaldehyde
SMILESCC(C)CC1CCN(C=O)CC1
InChIInChI=1S/C10H19NO/c1-9(2)7-10-3-5-11(8-12)6-4-10/h8-10H,3-7H2,1-2H3
InChIKeyQOFQWVVJIBMENU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds3

About 4-(2-methylpropyl)piperidine-1-carbaldehyde

4-(2-methylpropyl)piperidine-1-carbaldehyde (PubChem CID 59131388) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2-methylpropyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylpropyl)piperidine-1-carbaldehyde
PubChem CID59131388
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(2-methylpropyl)piperidine-1-carbaldehyde
SMILESCC(C)CC1CCN(C=O)CC1
InChIInChI=1S/C10H19NO/c1-9(2)7-10-3-5-11(8-12)6-4-10/h8-10H,3-7H2,1-2H3
InChIKeyQOFQWVVJIBMENU-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-methylpropyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(2-methylpropyl)piperidine-1-carbaldehyde (CID 59131388) is 4-(2-methylpropyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(2-methylpropyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(2-methylpropyl)piperidine-1-carbaldehyde is CC(C)CC1CCN(C=O)CC1.
What is the InChIKey of 4-(2-methylpropyl)piperidine-1-carbaldehyde?
The InChIKey is QOFQWVVJIBMENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-10-3-5-11(8-12)6-4-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)piperidine-1-carbaldehyde?
4-(2-methylpropyl)piperidine-1-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 59131388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).