(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone

C10H18N2O2 — CID 107217478

IUPAC(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)N2CC(O)C2)CCCCN1
InChIInChI=1S/C10H18N2O2/c1-10(4-2-3-5-11-10)9(14)12-6-8(13)7-12/h8,11,13H,2-7H2,1H3
InChIKeyBSWLSYOXSZVZSR-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.28
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone

(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone (PubChem CID 107217478) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
PubChem CID107217478
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)N2CC(O)C2)CCCCN1
InChIInChI=1S/C10H18N2O2/c1-10(4-2-3-5-11-10)9(14)12-6-8(13)7-12/h8,11,13H,2-7H2,1H3
InChIKeyBSWLSYOXSZVZSR-UHFFFAOYSA-N
XLogP-0.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperidin-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536777
azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 104597039
4-(2-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 113430865
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852
(2-methylpiperidin-2-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 104596814
(2S)-4-[(2S)-2-methylpiperidine-2-carbonyl]morpholine-2-carboxamide
CID 124691551
(2-ethylpyrrolidin-2-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217712
1-(2-methylpiperidine-2-carbonyl)-1,4-diazepan-5-one
CID 104596776
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596862
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-methylpiperidin-2-yl)methanone
CID 104596766

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone (CID 107217478) is (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)N2CC(O)C2)CCCCN1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone?
The InChIKey is BSWLSYOXSZVZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(4-2-3-5-11-10)9(14)12-6-8(13)7-12/h8,11,13H,2-7H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone?
(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone has a molecular weight of 198.27 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 107217478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).