3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole

C13H20N2O — CID 83849589

IUPAC3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole
SMILESC1CCc2noc(C3CCNCC3)c2CC1
InChIInChI=1S/C13H20N2O/c1-2-4-11-12(5-3-1)15-16-13(11)10-6-8-14-9-7-10/h10,14H,1-9H2
InChIKeyZVOPSNHESOWNMT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.41
Rot. Bonds1

About 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole

3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole (PubChem CID 83849589) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole.

Molecular Properties

Compound Name3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole
PubChem CID83849589
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole
SMILESC1CCc2noc(C3CCNCC3)c2CC1
InChIInChI=1S/C13H20N2O/c1-2-4-11-12(5-3-1)15-16-13(11)10-6-8-14-9-7-10/h10,14H,1-9H2
InChIKeyZVOPSNHESOWNMT-UHFFFAOYSA-N
XLogP2.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thian-4-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
CID 83849979
3-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)piperidin-2-one
CID 156761634
3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
CID 83848810
4-piperidin-4-yl-5,6,7,8-tetrahydroquinazoline
CID 83849258
(2,6-dimethoxyphenyl)-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)piperidin-1-yl]methanone
CID 110244755
5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 83849587
methyl 2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)cyclohexane-1-carboxylate
CID 67468852
2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 82463423
4-cyclopentyl-5-piperidin-4-yl-1,2-oxazole
CID 115032274
CID 123587310
CID 123587310
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 113391173
3-piperidin-4-yl-6,7-dihydro-5H-cyclopenta[b]pyrazine
CID 83832289

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole?
The IUPAC name of 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole (CID 83849589) is 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole.
What is the SMILES notation for 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole?
The canonical SMILES for 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole is C1CCc2noc(C3CCNCC3)c2CC1.
What is the InChIKey of 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole?
The InChIKey is ZVOPSNHESOWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-4-11-12(5-3-1)15-16-13(11)10-6-8-14-9-7-10/h10,14H,1-9H2.
What are the key properties of 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole?
3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole has a molecular weight of 220.32 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazole is sourced from PubChem (CID 83849589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).