trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol

C19H28N2O — CID 10780604

IUPACtrans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol
SMILESCN1CC2(CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21
InChIInChI=1S/C19H28N2O/c1-20-14-19(15-6-2-3-7-16(15)20)10-12-21(13-11-19)17-8-4-5-9-18(17)22/h2-3,6-7,17-18,22H,4-5,8-14H2,1H3/t17-,18-/m1/s1
InChIKeyNRCUGEUXKFLUED-QZTJIDSGSA-N
MW300.45 g/mol
LogP2.77
Rot. Bonds1

About trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol

trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol (PubChem CID 10780604) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol
PubChem CID10780604
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Nametrans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol
SMILESCN1CC2(CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21
InChIInChI=1S/C19H28N2O/c1-20-14-19(15-6-2-3-7-16(15)20)10-12-21(13-11-19)17-8-4-5-9-18(17)22/h2-3,6-7,17-18,22H,4-5,8-14H2,1H3/t17-,18-/m1/s1
InChIKeyNRCUGEUXKFLUED-QZTJIDSGSA-N
XLogP2.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol (CID 10780604) is trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol is CN1CC2(CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol?
The InChIKey is NRCUGEUXKFLUED-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20-14-19(15-6-2-3-7-16(15)20)10-12-21(13-11-19)17-8-4-5-9-18(17)22/h2-3,6-7,17-18,22H,4-5,8-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol?
trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol has a molecular weight of 300.45 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)cyclohexan-1-ol is sourced from PubChem (CID 10780604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).