(1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium

C10H21N2O2+ — CID 6991948

IUPAC(1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium
SMILESCOCC[NH2+]C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3/p+1
InChIKeyRMJGIXARLGOLGM-UHFFFAOYSA-O
MW201.29 g/mol
LogP-0.79
Rot. Bonds4

About (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium

(1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium (PubChem CID 6991948) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium
PubChem CID6991948
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name(1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium
SMILESCOCC[NH2+]C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3/p+1
InChIKeyRMJGIXARLGOLGM-UHFFFAOYSA-O
XLogP-0.79
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
1-Acetyl-4-(methylamino)piperidine
CID 19761265
N-{1-[(2-Methoxy-ethylcarbamoyl)-methyl]-piperidin-4-yl}-2,2-dimethyl-propionamide
CID 3221021
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
N-(1-propanoylpiperidin-4-yl)acetamide
CID 46228315
N-(1-acetylpiperidin-4-yl)propanamide
CID 46228316
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 53523431
N-[1-(2-hydroxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 72111004
N-[1-(propan-2-yl)piperidin-4-yl]acetamide
CID 21132014
N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027

Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium?
The IUPAC name of (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium (CID 6991948) is (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium.
What is the SMILES notation for (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium?
The canonical SMILES for (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium is COCC[NH2+]C1CCN(C(C)=O)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium?
The InChIKey is RMJGIXARLGOLGM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O2/c1-9(13)12-6-3-10(4-7-12)11-5-8-14-2/h10-11H,3-8H2,1-2H3/p+1.
What are the key properties of (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium?
(1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium has a molecular weight of 201.29 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)-(2-methoxyethyl)azanium is sourced from PubChem (CID 6991948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).