(3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol

C18H27N3O — CID 95870170

IUPAC(3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol
SMILESO[C@@]1(CN2CCC3(CC2)CNc2ccccc23)CCCNC1
InChIInChI=1S/C18H27N3O/c22-18(6-3-9-19-13-18)14-21-10-7-17(8-11-21)12-20-16-5-2-1-4-15(16)17/h1-2,4-5,19-20,22H,3,6-14H2/t18-/m0/s1
InChIKeyDSCXNUTZLAEISV-SFHVURJKSA-N
MW301.43 g/mol
LogP1.56
Rot. Bonds2

About (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol

(3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol (PubChem CID 95870170) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol
PubChem CID95870170
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol
SMILESO[C@@]1(CN2CCC3(CC2)CNc2ccccc23)CCCNC1
InChIInChI=1S/C18H27N3O/c22-18(6-3-9-19-13-18)14-21-10-7-17(8-11-21)12-20-16-5-2-1-4-15(16)17/h1-2,4-5,19-20,22H,3,6-14H2/t18-/m0/s1
InChIKeyDSCXNUTZLAEISV-SFHVURJKSA-N
XLogP1.56
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol (CID 95870170) is (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol is O[C@@]1(CN2CCC3(CC2)CNc2ccccc23)CCCNC1.
What is the InChIKey of (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol?
The InChIKey is DSCXNUTZLAEISV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(6-3-9-19-13-18)14-21-10-7-17(8-11-21)12-20-16-5-2-1-4-15(16)17/h1-2,4-5,19-20,22H,3,6-14H2/t18-/m0/s1.
What are the key properties of (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol?
(3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol has a molecular weight of 301.43 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 95870170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).