1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one

C10H19NO2 — CID 107224759

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO2/c1-2-3-6-10(13)11-7-4-5-9(12)8-11/h9,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyCQEBDVIXZXMJBL-VIFPVBQESA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds3

About 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one

1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one (PubChem CID 107224759) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
PubChem CID107224759
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO2/c1-2-3-6-10(13)11-7-4-5-9(12)8-11/h9,12H,2-8H2,1H3/t9-/m0/s1
InChIKeyCQEBDVIXZXMJBL-VIFPVBQESA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one
CID 136558785
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
N,N-dimethyl-1-pentanoylpiperidine-3-carboxamide
CID 60601624
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one (CID 107224759) is 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
The InChIKey is CQEBDVIXZXMJBL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-6-10(13)11-7-4-5-9(12)8-11/h9,12H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one?
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 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]pentan-1-one is sourced from PubChem (CID 107224759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).