2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal

C14H27NO — CID 62276202

IUPAC2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN1CCCC(CC)C1
InChIInChI=1S/C14H27NO/c1-4-8-14(3,12-16)11-15-9-6-7-13(5-2)10-15/h12-13H,4-11H2,1-3H3
InChIKeyGNRSYNUFXCPVHK-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds6

About 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal

2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal (PubChem CID 62276202) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
PubChem CID62276202
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN1CCCC(CC)C1
InChIInChI=1S/C14H27NO/c1-4-8-14(3,12-16)11-15-9-6-7-13(5-2)10-15/h12-13H,4-11H2,1-3H3
InChIKeyGNRSYNUFXCPVHK-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal?
The IUPAC name of 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal (CID 62276202) is 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal.
What is the SMILES notation for 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal?
The canonical SMILES for 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal is CCCC(C)(C=O)CN1CCCC(CC)C1.
What is the InChIKey of 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal?
The InChIKey is GNRSYNUFXCPVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-8-14(3,12-16)11-15-9-6-7-13(5-2)10-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal?
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal has a molecular weight of 225.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal is sourced from PubChem (CID 62276202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).