1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one

C10H17NO2 — CID 107224564

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H17NO2/c1-2-3-6-10(13)11-7-4-5-9(12)8-11/h2,9,12H,1,3-8H2/t9-/m0/s1
InChIKeyKMQSUZRKCLKSOG-VIFPVBQESA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds3

About 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one

1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one (PubChem CID 107224564) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
PubChem CID107224564
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H17NO2/c1-2-3-6-10(13)11-7-4-5-9(12)8-11/h2,9,12H,1,3-8H2/t9-/m0/s1
InChIKeyKMQSUZRKCLKSOG-VIFPVBQESA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypiperidin-1-yl)but-3-en-1-one
CID 62677982
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
3-[(3R)-1-pent-4-enoylpiperidin-3-yl]propanoic acid
CID 94547371
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63030781
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one (CID 107224564) is 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one?
The InChIKey is KMQSUZRKCLKSOG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-6-10(13)11-7-4-5-9(12)8-11/h2,9,12H,1,3-8H2/t9-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one?
1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one is sourced from PubChem (CID 107224564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).