4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde

C15H28N2O2 — CID 86806740

IUPAC4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde
SMILESCC(C)C1OCCCC1CNC1CCN(C=O)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)15-13(4-3-9-19-15)10-16-14-5-7-17(11-18)8-6-14/h11-16H,3-10H2,1-2H3
InChIKeyICLNFDGKZGYMEX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds5

About 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde

4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde (PubChem CID 86806740) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde
PubChem CID86806740
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde
SMILESCC(C)C1OCCCC1CNC1CCN(C=O)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)15-13(4-3-9-19-15)10-16-14-5-7-17(11-18)8-6-14/h11-16H,3-10H2,1-2H3
InChIKeyICLNFDGKZGYMEX-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
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-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde?
The IUPAC name of 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde (CID 86806740) is 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde is CC(C)C1OCCCC1CNC1CCN(C=O)CC1.
What is the InChIKey of 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde?
The InChIKey is ICLNFDGKZGYMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)15-13(4-3-9-19-15)10-16-14-5-7-17(11-18)8-6-14/h11-16H,3-10H2,1-2H3.
What are the key properties of 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde?
4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde has a molecular weight of 268.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-yloxan-3-yl)methylamino]piperidine-1-carbaldehyde is sourced from PubChem (CID 86806740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).