1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde

C10H19NO2 — CID 57260487

IUPAC1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde
SMILESCC(C)(C)ON1CCC(C=O)CC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-11-6-4-9(8-12)5-7-11/h8-9H,4-7H2,1-3H3
InChIKeyYPPKMWXVHWRIOE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde

1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde (PubChem CID 57260487) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde
PubChem CID57260487
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde
SMILESCC(C)(C)ON1CCC(C=O)CC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-11-6-4-9(8-12)5-7-11/h8-9H,4-7H2,1-3H3
InChIKeyYPPKMWXVHWRIOE-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
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 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde (CID 57260487) is 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde is CC(C)(C)ON1CCC(C=O)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde?
The InChIKey is YPPKMWXVHWRIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)13-11-6-4-9(8-12)5-7-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde?
1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde has a molecular weight of 185.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]piperidine-4-carbaldehyde is sourced from PubChem (CID 57260487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).