1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol

C13H18N2O2 — CID 105494683

IUPAC1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol
SMILESCN1c2ccc(O)cc2C(O)C12CCNCC2
InChIInChI=1S/C13H18N2O2/c1-15-11-3-2-9(16)8-10(11)12(17)13(15)4-6-14-7-5-13/h2-3,8,12,14,16-17H,4-7H2,1H3
InChIKeyGWMIXHJVIHXSMT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.00
Rot. Bonds

About 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol

1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol (PubChem CID 105494683) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol.

Molecular Properties

Compound Name1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol
PubChem CID105494683
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol
SMILESCN1c2ccc(O)cc2C(O)C12CCNCC2
InChIInChI=1S/C13H18N2O2/c1-15-11-3-2-9(16)8-10(11)12(17)13(15)4-6-14-7-5-13/h2-3,8,12,14,16-17H,4-7H2,1H3
InChIKeyGWMIXHJVIHXSMT-UHFFFAOYSA-N
XLogP1.00
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol
CID 105477452
6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol
CID 174584995
2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
CID 117202469
7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one
CID 115099669
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
(3aS,8bR)-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-ol
CID 167078390
2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one
CID 118351703
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
3-fluoro-4-[(2S,3S)-3-(2-fluoro-4-hydroxyphenyl)piperazin-2-yl]phenol
CID 124672778
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol
CID 1250
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407

Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol?
The IUPAC name of 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol (CID 105494683) is 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol.
What is the SMILES notation for 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol?
The canonical SMILES for 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol is CN1c2ccc(O)cc2C(O)C12CCNCC2.
What is the InChIKey of 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol?
The InChIKey is GWMIXHJVIHXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-11-3-2-9(16)8-10(11)12(17)13(15)4-6-14-7-5-13/h2-3,8,12,14,16-17H,4-7H2,1H3.
What are the key properties of 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol?
1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol has a molecular weight of 234.30 g/mol, XLogP of 1.00, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol is sourced from PubChem (CID 105494683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).