N-[(1-ethylpiperidin-4-yl)methyl]formamide

C9H18N2O — CID 64991387

IUPACN-[(1-ethylpiperidin-4-yl)methyl]formamide
SMILESCCN1CCC(CNC=O)CC1
InChIInChI=1S/C9H18N2O/c1-2-11-5-3-9(4-6-11)7-10-8-12/h8-9H,2-7H2,1H3,(H,10,12)
InChIKeyMUWLDKNXWYEGNV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds4

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

N-[(1-ethylpiperidin-4-yl)methyl]formamide (PubChem CID 64991387) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]formamide
PubChem CID64991387
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]formamide
SMILESCCN1CCC(CNC=O)CC1
InChIInChI=1S/C9H18N2O/c1-2-11-5-3-9(4-6-11)7-10-8-12/h8-9H,2-7H2,1H3,(H,10,12)
InChIKeyMUWLDKNXWYEGNV-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethylpiperidin-4-yl)methyl]formamide?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]formamide (CID 64991387) is N-[(1-ethylpiperidin-4-yl)methyl]formamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]formamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]formamide is CCN1CCC(CNC=O)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]formamide?
The InChIKey is MUWLDKNXWYEGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-11-5-3-9(4-6-11)7-10-8-12/h8-9H,2-7H2,1H3,(H,10,12).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]formamide?
N-[(1-ethylpiperidin-4-yl)methyl]formamide has a molecular weight of 170.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]formamide is sourced from PubChem (CID 64991387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).