4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde

C12H24N2O2 — CID 167520958

IUPAC4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde
SMILESCC(C)OCCN(C)C1CCN(C=O)CC1
InChIInChI=1S/C12H24N2O2/c1-11(2)16-9-8-13(3)12-4-6-14(10-15)7-5-12/h10-12H,4-9H2,1-3H3
InChIKeyJHCZQOCVMLLDSP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds6

About 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde

4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde (PubChem CID 167520958) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde
PubChem CID167520958
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde
SMILESCC(C)OCCN(C)C1CCN(C=O)CC1
InChIInChI=1S/C12H24N2O2/c1-11(2)16-9-8-13(3)12-4-6-14(10-15)7-5-12/h10-12H,4-9H2,1-3H3
InChIKeyJHCZQOCVMLLDSP-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
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 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde?
The IUPAC name of 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde (CID 167520958) is 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde is CC(C)OCCN(C)C1CCN(C=O)CC1.
What is the InChIKey of 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde?
The InChIKey is JHCZQOCVMLLDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)16-9-8-13(3)12-4-6-14(10-15)7-5-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde?
4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde has a molecular weight of 228.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-propan-2-yloxyethyl)amino]piperidine-1-carbaldehyde is sourced from PubChem (CID 167520958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).