3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride

C8H17ClN2O2 — CID 56831838

IUPAC3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C8H16N2O2.ClH/c9-4-1-8(12)10-5-2-7(11)3-6-10;/h7,11H,1-6,9H2;1H
InChIKeyPLIHQUGMYMPWMC-UHFFFAOYSA-N
MW208.69 g/mol
LogP-0.26
Rot. Bonds2

About 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride

3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 56831838) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID56831838
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Name3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C8H16N2O2.ClH/c9-4-1-8(12)10-5-2-7(11)3-6-10;/h7,11H,1-6,9H2;1H
InChIKeyPLIHQUGMYMPWMC-UHFFFAOYSA-N
XLogP-0.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride (CID 56831838) is 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride is Cl.NCCC(=O)N1CCC(O)CC1.
What is the InChIKey of 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is PLIHQUGMYMPWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c9-4-1-8(12)10-5-2-7(11)3-6-10;/h7,11H,1-6,9H2;1H.
What are the key properties of 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride?
3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 56831838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).