(2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride

C8H17ClN2O — CID 50988046

IUPAC(2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-7(9)8(11)10-5-3-2-4-6-10;/h7H,2-6,9H2,1H3;1H/t7-;/m0./s1
InChIKeyZDJUIAOSWUDBFB-FJXQXJEOSA-N
MW192.69 g/mol
LogP0.77
Rot. Bonds1

About (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride

(2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride (PubChem CID 50988046) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride
PubChem CID50988046
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name(2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-7(9)8(11)10-5-3-2-4-6-10;/h7H,2-6,9H2,1H3;1H/t7-;/m0./s1
InChIKeyZDJUIAOSWUDBFB-FJXQXJEOSA-N
XLogP0.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride (CID 50988046) is (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is ZDJUIAOSWUDBFB-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-7(9)8(11)10-5-3-2-4-6-10;/h7H,2-6,9H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride?
(2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-piperidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 50988046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).