(3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride

C7H15ClN2O2 — CID 68949207

IUPAC(3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride
SMILESCl.NC(O)C[C@@H]1CCCNC1=O
InChIInChI=1S/C7H14N2O2.ClH/c8-6(10)4-5-2-1-3-9-7(5)11;/h5-6,10H,1-4,8H2,(H,9,11);1H/t5-,6?;/m0./s1
InChIKeyAQJCJMHRXKPITD-GNVLWMSISA-N
MW194.66 g/mol
LogP-0.40
Rot. Bonds2

About (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride

(3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride (PubChem CID 68949207) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride
PubChem CID68949207
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name(3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride
SMILESCl.NC(O)C[C@@H]1CCCNC1=O
InChIInChI=1S/C7H14N2O2.ClH/c8-6(10)4-5-2-1-3-9-7(5)11;/h5-6,10H,1-4,8H2,(H,9,11);1H/t5-,6?;/m0./s1
InChIKeyAQJCJMHRXKPITD-GNVLWMSISA-N
XLogP-0.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride?
The IUPAC name of (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride (CID 68949207) is (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride?
The canonical SMILES for (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride is Cl.NC(O)C[C@@H]1CCCNC1=O.
What is the InChIKey of (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride?
The InChIKey is AQJCJMHRXKPITD-GNVLWMSISA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c8-6(10)4-5-2-1-3-9-7(5)11;/h5-6,10H,1-4,8H2,(H,9,11);1H/t5-,6?;/m0./s1.
What are the key properties of (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride?
(3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-amino-2-hydroxyethyl)piperidin-2-one;hydrochloride is sourced from PubChem (CID 68949207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).