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

C13H26N2O2 — CID 119647696

IUPAC2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCCNCC1CCN(C(=O)C(C)OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14-10-12-6-8-15(9-7-12)13(16)11(3)17-5-2/h11-12,14H,4-10H2,1-3H3
InChIKeyLNJGHDLBBBTCDV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds6

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

2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 119647696) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID119647696
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCCNCC1CCN(C(=O)C(C)OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-4-14-10-12-6-8-15(9-7-12)13(16)11(3)17-5-2/h11-12,14H,4-10H2,1-3H3
InChIKeyLNJGHDLBBBTCDV-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

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Related Compounds

2-but-3-enoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119648320
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-ethylsulfanyl-3-methylbutan-1-one
CID 119648398
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119644444
2-(3,5-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647802
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 119644184
2-butoxy-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546364
1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 144853356
2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644529

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one (CID 119647696) is 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one is CCNCC1CCN(C(=O)C(C)OCC)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is LNJGHDLBBBTCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-14-10-12-6-8-15(9-7-12)13(16)11(3)17-5-2/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one?
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one 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 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119647696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).