1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone

C13H26N2O2 — CID 112701498

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCCNCC1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14-9-12-5-7-15(8-6-12)13(16)10-17-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeySHWFFGDGWUNNSE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds6

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 112701498) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID112701498
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCCNCC1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14-9-12-5-7-15(8-6-12)13(16)10-17-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeySHWFFGDGWUNNSE-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethyl-2-(4-piperidinyloxy)acetamide
CID 20298099
6-Cyclopropylmorpholin-3-one
CID 75472684
2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2165494
1-(4-Methylpiperidin-1-yl)-2-(2-methylpropoxy)propan-1-one
CID 45818538
2-(2-Methylpropoxy)-1-piperidin-1-ylpropan-1-one
CID 51079669
N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride
CID 73994911
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)pivalamide
CID 16895527
N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)isobutyramide
CID 16895566
2-ethoxy-1-(4-tetrahydro-1H-pyrrol-3-ylpiperidino)-1-ethanone
CID 110197843
2-Ethylhexyl diglycolamide
CID 129831472
2-Ethoxy-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 45823549
(2S)-2-cyclopentyloxy-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 96533580

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone (CID 112701498) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone is CCNCC1CCN(C(=O)COC(C)C)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is SHWFFGDGWUNNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-14-9-12-5-7-15(8-6-12)13(16)10-17-11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 242.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 112701498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).