1-(2-aminopiperidin-1-ium-1-yl)propan-2-one

C8H17N2O+ — CID 163167772

IUPAC1-(2-aminopiperidin-1-ium-1-yl)propan-2-one
SMILESCC(=O)C[NH+]1CCCCC1N
InChIInChI=1S/C8H16N2O/c1-7(11)6-10-5-3-2-4-8(10)9/h8H,2-6,9H2,1H3/p+1
InChIKeyKVOBIKVMMHYDNJ-UHFFFAOYSA-O
MW157.24 g/mol
LogP-1.07
Rot. Bonds2

About 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one

1-(2-aminopiperidin-1-ium-1-yl)propan-2-one (PubChem CID 163167772) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-aminopiperidin-1-ium-1-yl)propan-2-one
PubChem CID163167772
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Name1-(2-aminopiperidin-1-ium-1-yl)propan-2-one
SMILESCC(=O)C[NH+]1CCCCC1N
InChIInChI=1S/C8H16N2O/c1-7(11)6-10-5-3-2-4-8(10)9/h8H,2-6,9H2,1H3/p+1
InChIKeyKVOBIKVMMHYDNJ-UHFFFAOYSA-O
XLogP-1.07
TPSA47.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one?
The IUPAC name of 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one (CID 163167772) is 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one.
What is the SMILES notation for 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one?
The canonical SMILES for 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one is CC(=O)C[NH+]1CCCCC1N.
What is the InChIKey of 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one?
The InChIKey is KVOBIKVMMHYDNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2O/c1-7(11)6-10-5-3-2-4-8(10)9/h8H,2-6,9H2,1H3/p+1.
What are the key properties of 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one?
1-(2-aminopiperidin-1-ium-1-yl)propan-2-one has a molecular weight of 157.24 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopiperidin-1-ium-1-yl)propan-2-one is sourced from PubChem (CID 163167772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).