N-methyl-N-(2-piperidin-4-ylethyl)formamide

C9H18N2O — CID 54279094

IUPACN-methyl-N-(2-piperidin-4-ylethyl)formamide
SMILESCN(C=O)CCC1CCNCC1
InChIInChI=1S/C9H18N2O/c1-11(8-12)7-4-9-2-5-10-6-3-9/h8-10H,2-7H2,1H3
InChIKeyQLPYUPWHLIORSF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds4

About N-methyl-N-(2-piperidin-4-ylethyl)formamide

N-methyl-N-(2-piperidin-4-ylethyl)formamide (PubChem CID 54279094) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-4-ylethyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-4-ylethyl)formamide
PubChem CID54279094
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-N-(2-piperidin-4-ylethyl)formamide
SMILESCN(C=O)CCC1CCNCC1
InChIInChI=1S/C9H18N2O/c1-11(8-12)7-4-9-2-5-10-6-3-9/h8-10H,2-7H2,1H3
InChIKeyQLPYUPWHLIORSF-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-methyl-N-(2-piperidin-4-ylethyl)formamide?
The IUPAC name of N-methyl-N-(2-piperidin-4-ylethyl)formamide (CID 54279094) is N-methyl-N-(2-piperidin-4-ylethyl)formamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-4-ylethyl)formamide?
The canonical SMILES for N-methyl-N-(2-piperidin-4-ylethyl)formamide is CN(C=O)CCC1CCNCC1.
What is the InChIKey of N-methyl-N-(2-piperidin-4-ylethyl)formamide?
The InChIKey is QLPYUPWHLIORSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(8-12)7-4-9-2-5-10-6-3-9/h8-10H,2-7H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-4-ylethyl)formamide?
N-methyl-N-(2-piperidin-4-ylethyl)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-methyl-N-(2-piperidin-4-ylethyl)formamide is sourced from PubChem (CID 54279094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).