1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol

C14H21NO — CID 123786162

IUPAC1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol
SMILESCN1CCC2(CC1)CC(O)C1=C2CCC=C1
InChIInChI=1S/C14H21NO/c1-15-8-6-14(7-9-15)10-13(16)11-4-2-3-5-12(11)14/h2,4,13,16H,3,5-10H2,1H3
InChIKeyIHOLKXCNNIRSTB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.11
Rot. Bonds

About 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol

1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol (PubChem CID 123786162) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol.

Molecular Properties

Compound Name1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol
PubChem CID123786162
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol
SMILESCN1CCC2(CC1)CC(O)C1=C2CCC=C1
InChIInChI=1S/C14H21NO/c1-15-8-6-14(7-9-15)10-13(16)11-4-2-3-5-12(11)14/h2,4,13,16H,3,5-10H2,1H3
InChIKeyIHOLKXCNNIRSTB-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol?
The IUPAC name of 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol (CID 123786162) is 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol.
What is the SMILES notation for 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol?
The canonical SMILES for 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol is CN1CCC2(CC1)CC(O)C1=C2CCC=C1.
What is the InChIKey of 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol?
The InChIKey is IHOLKXCNNIRSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-8-6-14(7-9-15)10-13(16)11-4-2-3-5-12(11)14/h2,4,13,16H,3,5-10H2,1H3.
What are the key properties of 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol?
1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,2,4,5-tetrahydroindene-3,4'-piperidine]-1-ol is sourced from PubChem (CID 123786162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).