piperidin-3-one;hydrochloride

C5H10ClNO — CID 22707028

IUPACpiperidin-3-one;hydrochloride
SMILESCl.O=C1CCCNC1
InChIInChI=1S/C5H9NO.ClH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H
InChIKeyKDHKOJFFKXGPKZ-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.36
Rot. Bonds

About piperidin-3-one;hydrochloride

piperidin-3-one;hydrochloride (PubChem CID 22707028) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is piperidin-3-one;hydrochloride.

Molecular Properties

Compound Namepiperidin-3-one;hydrochloride
PubChem CID22707028
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Namepiperidin-3-one;hydrochloride
SMILESCl.O=C1CCCNC1
InChIInChI=1S/C5H9NO.ClH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H
InChIKeyKDHKOJFFKXGPKZ-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-one;hydrochloride?
The IUPAC name of piperidin-3-one;hydrochloride (CID 22707028) is piperidin-3-one;hydrochloride.
What is the SMILES notation for piperidin-3-one;hydrochloride?
The canonical SMILES for piperidin-3-one;hydrochloride is Cl.O=C1CCCNC1.
What is the InChIKey of piperidin-3-one;hydrochloride?
The InChIKey is KDHKOJFFKXGPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H.
What are the key properties of piperidin-3-one;hydrochloride?
piperidin-3-one;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-one;hydrochloride is sourced from PubChem (CID 22707028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).