N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide

C11H22N2O — CID 121338464

IUPACN-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide
SMILESCCN1CCC(CCN(C)C=O)CC1
InChIInChI=1S/C11H22N2O/c1-3-13-8-5-11(6-9-13)4-7-12(2)10-14/h10-11H,3-9H2,1-2H3
InChIKeyHPAFEKZLWAMVKT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds5

About N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide

N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide (PubChem CID 121338464) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide
PubChem CID121338464
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide
SMILESCCN1CCC(CCN(C)C=O)CC1
InChIInChI=1S/C11H22N2O/c1-3-13-8-5-11(6-9-13)4-7-12(2)10-14/h10-11H,3-9H2,1-2H3
InChIKeyHPAFEKZLWAMVKT-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
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-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide (CID 121338464) is N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide is CCN1CCC(CCN(C)C=O)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide?
The InChIKey is HPAFEKZLWAMVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-13-8-5-11(6-9-13)4-7-12(2)10-14/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide?
N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide has a molecular weight of 198.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)ethyl]-N-methylformamide is sourced from PubChem (CID 121338464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).