1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one

C9H18N2O2 — CID 62590206

IUPAC1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-13-7-4-9(12)11-5-2-8(10)3-6-11/h8H,2-7,10H2,1H3
InChIKeyUQLJENSAJMUUJW-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one

1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one (PubChem CID 62590206) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one
PubChem CID62590206
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC(N)CC1
InChIInChI=1S/C9H18N2O2/c1-13-7-4-9(12)11-5-2-8(10)3-6-11/h8H,2-7,10H2,1H3
InChIKeyUQLJENSAJMUUJW-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one (CID 62590206) is 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one is COCCC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one?
The InChIKey is UQLJENSAJMUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-7-4-9(12)11-5-2-8(10)3-6-11/h8H,2-7,10H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one?
1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 62590206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).