2-(2-ethylbutylamino)-1-piperidin-1-ylethanone

C13H26N2O — CID 115756524

IUPAC2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
SMILESCCC(CC)CNCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-12(4-2)10-14-11-13(16)15-8-6-5-7-9-15/h12,14H,3-11H2,1-2H3
InChIKeySFSHNZQDZSFBJE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds6

About 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone

2-(2-ethylbutylamino)-1-piperidin-1-ylethanone (PubChem CID 115756524) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
PubChem CID115756524
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
SMILESCCC(CC)CNCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-12(4-2)10-14-11-13(16)15-8-6-5-7-9-15/h12,14H,3-11H2,1-2H3
InChIKeySFSHNZQDZSFBJE-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
CID 65036162
1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
CID 83143576
1-(azepan-1-yl)-2-(3-hydroxypentylamino)ethanone
CID 113497568
1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103259024
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
2-(1-hydroxybutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43392797
1-(azepan-1-yl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethanone
CID 106256502
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone (CID 115756524) is 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone is CCC(CC)CNCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone?
The InChIKey is SFSHNZQDZSFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-12(4-2)10-14-11-13(16)15-8-6-5-7-9-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone?
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone has a molecular weight of 226.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 115756524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).