(3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol

C12H19N3O2 — CID 172575316

IUPAC(3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol
SMILESCc1cnn2c1C1(CCNCC1)OCC2CO
InChIInChI=1S/C12H19N3O2/c1-9-6-14-15-10(7-16)8-17-12(11(9)15)2-4-13-5-3-12/h6,10,13,16H,2-5,7-8H2,1H3
InChIKeyFUYKAZIDGJZSAU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.33
Rot. Bonds1

About (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol

(3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol (PubChem CID 172575316) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol.

Molecular Properties

Compound Name(3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol
PubChem CID172575316
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol
SMILESCc1cnn2c1C1(CCNCC1)OCC2CO
InChIInChI=1S/C12H19N3O2/c1-9-6-14-15-10(7-16)8-17-12(11(9)15)2-4-13-5-3-12/h6,10,13,16H,2-5,7-8H2,1H3
InChIKeyFUYKAZIDGJZSAU-UHFFFAOYSA-N
XLogP0.33
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol?
The IUPAC name of (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol (CID 172575316) is (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol.
What is the SMILES notation for (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol?
The canonical SMILES for (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol is Cc1cnn2c1C1(CCNCC1)OCC2CO.
What is the InChIKey of (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol?
The InChIKey is FUYKAZIDGJZSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-14-15-10(7-16)8-17-12(11(9)15)2-4-13-5-3-12/h6,10,13,16H,2-5,7-8H2,1H3.
What are the key properties of (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol?
(3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol has a molecular weight of 237.30 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,4'-piperidine]-7-yl)methanol is sourced from PubChem (CID 172575316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).