(3S)-3-hydroxypiperidin-2-one;hydrochloride

C5H10ClNO2 — CID 154574764

IUPAC(3S)-3-hydroxypiperidin-2-one;hydrochloride
SMILESCl.O=C1NCCC[C@@H]1O
InChIInChI=1S/C5H9NO2.ClH/c7-4-2-1-3-6-5(4)8;/h4,7H,1-3H2,(H,6,8);1H/t4-;/m0./s1
InChIKeyVHWSBYMLCDRDHT-WCCKRBBISA-N
MW151.59 g/mol
LogP-0.32
Rot. Bonds

About (3S)-3-hydroxypiperidin-2-one;hydrochloride

(3S)-3-hydroxypiperidin-2-one;hydrochloride (PubChem CID 154574764) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is (3S)-3-hydroxypiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-hydroxypiperidin-2-one;hydrochloride
PubChem CID154574764
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name(3S)-3-hydroxypiperidin-2-one;hydrochloride
SMILESCl.O=C1NCCC[C@@H]1O
InChIInChI=1S/C5H9NO2.ClH/c7-4-2-1-3-6-5(4)8;/h4,7H,1-3H2,(H,6,8);1H/t4-;/m0./s1
InChIKeyVHWSBYMLCDRDHT-WCCKRBBISA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 641547
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(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
[(3S)-2-oxopiperidin-3-yl]azanium
CID 7200368
(3R)-3-hydroxyazetidin-2-one
CID 97184618
3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
CID 165460765
acetic acid;3-aminopiperidin-2-one
CID 139269691
3-trimethylsilylpiperidin-2-one
CID 46210483
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
(1R,7R)-8-oxa-3-azabicyclo[5.1.0]octan-2-one
CID 101490827
1,2,3,4,4a,5,6,7,8,9a-decahydropyrido[2,3-c]azepin-9-one
CID 165457744

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxypiperidin-2-one;hydrochloride?
The IUPAC name of (3S)-3-hydroxypiperidin-2-one;hydrochloride (CID 154574764) is (3S)-3-hydroxypiperidin-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-hydroxypiperidin-2-one;hydrochloride?
The canonical SMILES for (3S)-3-hydroxypiperidin-2-one;hydrochloride is Cl.O=C1NCCC[C@@H]1O.
What is the InChIKey of (3S)-3-hydroxypiperidin-2-one;hydrochloride?
The InChIKey is VHWSBYMLCDRDHT-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c7-4-2-1-3-6-5(4)8;/h4,7H,1-3H2,(H,6,8);1H/t4-;/m0./s1.
What are the key properties of (3S)-3-hydroxypiperidin-2-one;hydrochloride?
(3S)-3-hydroxypiperidin-2-one;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxypiperidin-2-one;hydrochloride is sourced from PubChem (CID 154574764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).