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

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119647919
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylbutylsulfanyl)ethanone
CID 119647236
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one;hydrochloride
CID 119645502
3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
CID 172604985

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).