7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone

C13H21NO2 — CID 71984604

IUPAC7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1C2CCCCC21)N1CCCC(O)C1
InChIInChI=1S/C13H21NO2/c15-9-4-3-7-14(8-9)13(16)12-10-5-1-2-6-11(10)12/h9-12,15H,1-8H2
InChIKeyQXYAIILHPHRTFA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds1

About 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone

7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 71984604) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone
PubChem CID71984604
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(C1C2CCCCC21)N1CCCC(O)C1
InChIInChI=1S/C13H21NO2/c15-9-4-3-7-14(8-9)13(16)12-10-5-1-2-6-11(10)12/h9-12,15H,1-8H2
InChIKeyQXYAIILHPHRTFA-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone with MolForge

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Related Compounds

cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
(3-hydroxypiperidin-1-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 113256799
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 79600645
aziridin-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 130667355
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
[3-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119594774
(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224949
(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
CID 60849021
[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
CID 120727386
1-(3-hydroxypiperidin-1-yl)ethanone;methanethiol
CID 143678194
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone (CID 71984604) is 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone is O=C(C1C2CCCCC21)N1CCCC(O)C1.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is QXYAIILHPHRTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-9-4-3-7-14(8-9)13(16)12-10-5-1-2-6-11(10)12/h9-12,15H,1-8H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71984604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).