tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

C21H32N2O4 — CID 167859998

IUPACtert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCC(O)CNC1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21
InChIInChI=1S/C21H32N2O4/c1-15(24)14-22-17-13-21(26-18-8-6-5-7-16(17)18)9-11-23(12-10-21)19(25)27-20(2,3)4/h5-8,15,17,22,24H,9-14H2,1-4H3
InChIKeyOPJZHHRDACFKNG-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.25
Rot. Bonds3

About tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 167859998) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
PubChem CID167859998
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Nametert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCC(O)CNC1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21
InChIInChI=1S/C21H32N2O4/c1-15(24)14-22-17-13-21(26-18-8-6-5-7-16(17)18)9-11-23(12-10-21)19(25)27-20(2,3)4/h5-8,15,17,22,24H,9-14H2,1-4H3
InChIKeyOPJZHHRDACFKNG-UHFFFAOYSA-N
XLogP3.25
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R,4R)-4-[[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]amino]spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-carboxylate
CID 97253984
tert-butyl (4S)-4-(2-ethoxy-2-oxoethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 86334777
tert-butyl 4-[3-[2-ethylbutanoyl(methyl)amino]propyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143559733
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 67122794
tert-butyl 4-(oxomethylidene)spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 141448698
4-(methanesulfonamido)-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 131643557
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (CID 167859998) is tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is CC(O)CNC1CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccccc21.
What is the InChIKey of tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is OPJZHHRDACFKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-15(24)14-22-17-13-21(26-18-8-6-5-7-16(17)18)9-11-23(12-10-21)19(25)27-20(2,3)4/h5-8,15,17,22,24H,9-14H2,1-4H3.
What are the key properties of tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxypropylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 167859998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).