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

C10H19NO — CID 62655908

IUPAC1-(2-methylpropyl)piperidine-4-carbaldehyde
SMILESCC(C)CN1CCC(C=O)CC1
InChIInChI=1S/C10H19NO/c1-9(2)7-11-5-3-10(8-12)4-6-11/h8-10H,3-7H2,1-2H3
InChIKeyYNUBRZVDSCYGLD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds3

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

1-(2-methylpropyl)piperidine-4-carbaldehyde (PubChem CID 62655908) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylpropyl)piperidine-4-carbaldehyde
PubChem CID62655908
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-methylpropyl)piperidine-4-carbaldehyde
SMILESCC(C)CN1CCC(C=O)CC1
InChIInChI=1S/C10H19NO/c1-9(2)7-11-5-3-10(8-12)4-6-11/h8-10H,3-7H2,1-2H3
InChIKeyYNUBRZVDSCYGLD-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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 1-(2-methylpropyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(2-methylpropyl)piperidine-4-carbaldehyde (CID 62655908) is 1-(2-methylpropyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(2-methylpropyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(2-methylpropyl)piperidine-4-carbaldehyde is CC(C)CN1CCC(C=O)CC1.
What is the InChIKey of 1-(2-methylpropyl)piperidine-4-carbaldehyde?
The InChIKey is YNUBRZVDSCYGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-11-5-3-10(8-12)4-6-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)piperidine-4-carbaldehyde?
1-(2-methylpropyl)piperidine-4-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62655908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).