2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal

C12H23NO2 — CID 62277702

IUPAC2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-3-6-12(2,10-14)9-13-7-4-11(15)5-8-13/h10-11,15H,3-9H2,1-2H3
InChIKeyVYHYZFSJDIZNRE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds5

About 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal

2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal (PubChem CID 62277702) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
PubChem CID62277702
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-3-6-12(2,10-14)9-13-7-4-11(15)5-8-13/h10-11,15H,3-9H2,1-2H3
InChIKeyVYHYZFSJDIZNRE-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
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 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal?
The IUPAC name of 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal (CID 62277702) is 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal.
What is the SMILES notation for 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal?
The canonical SMILES for 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal is CCCC(C)(C=O)CN1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal?
The InChIKey is VYHYZFSJDIZNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-6-12(2,10-14)9-13-7-4-11(15)5-8-13/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal?
2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal has a molecular weight of 213.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal is sourced from PubChem (CID 62277702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).