1-(4-aminopiperidin-1-yl)ethanone;pentane

C12H26N2O — CID 142969821

IUPAC1-(4-aminopiperidin-1-yl)ethanone;pentane
SMILESCC(=O)N1CCC(N)CC1.CCCCC
InChIInChI=1S/C7H14N2O.C5H12/c1-6(10)9-4-2-7(8)3-5-9;1-3-5-4-2/h7H,2-5,8H2,1H3;3-5H2,1-2H3
InChIKeyWFWHFBAIJJJAQC-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.15
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)ethanone;pentane

1-(4-aminopiperidin-1-yl)ethanone;pentane (PubChem CID 142969821) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)ethanone;pentane.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)ethanone;pentane
PubChem CID142969821
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(4-aminopiperidin-1-yl)ethanone;pentane
SMILESCC(=O)N1CCC(N)CC1.CCCCC
InChIInChI=1S/C7H14N2O.C5H12/c1-6(10)9-4-2-7(8)3-5-9;1-3-5-4-2/h7H,2-5,8H2,1H3;3-5H2,1-2H3
InChIKeyWFWHFBAIJJJAQC-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
4-aminopiperidine-1-carbonyl iodide
CID 89243614
1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one
CID 82042195
1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride
CID 119376332
N-[(1-acetylpiperidin-4-yl)methyl]pentanamide
CID 110736125

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;pentane?
The IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;pentane (CID 142969821) is 1-(4-aminopiperidin-1-yl)ethanone;pentane.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)ethanone;pentane?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)ethanone;pentane is CC(=O)N1CCC(N)CC1.CCCCC.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)ethanone;pentane?
The InChIKey is WFWHFBAIJJJAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C5H12/c1-6(10)9-4-2-7(8)3-5-9;1-3-5-4-2/h7H,2-5,8H2,1H3;3-5H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)ethanone;pentane?
1-(4-aminopiperidin-1-yl)ethanone;pentane has a molecular weight of 214.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)ethanone;pentane is sourced from PubChem (CID 142969821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).