N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide

C9H18N2O2 — CID 54523521

IUPACN-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide
SMILESCCN1CCC(O)(CNC=O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-11-5-3-9(13,4-6-11)7-10-8-12/h8,13H,2-7H2,1H3,(H,10,12)
InChIKeyYRNAOFFZVVGEHV-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds4

About N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide

N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide (PubChem CID 54523521) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide
PubChem CID54523521
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide
SMILESCCN1CCC(O)(CNC=O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-11-5-3-9(13,4-6-11)7-10-8-12/h8,13H,2-7H2,1H3,(H,10,12)
InChIKeyYRNAOFFZVVGEHV-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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 N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide?
The IUPAC name of N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide (CID 54523521) is N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide.
What is the SMILES notation for N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide?
The canonical SMILES for N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide is CCN1CCC(O)(CNC=O)CC1.
What is the InChIKey of N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide?
The InChIKey is YRNAOFFZVVGEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-11-5-3-9(13,4-6-11)7-10-8-12/h8,13H,2-7H2,1H3,(H,10,12).
What are the key properties of N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide?
N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide has a molecular weight of 186.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide is sourced from PubChem (CID 54523521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).