5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate

C20H26BrNO4 — CID 164586124

IUPAC5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.Oc1ccc2c(Br)cccc2c1
InChIInChI=1S/C10H7BrO.C10H19NO3/c11-10-3-1-2-7-6-8(12)4-5-9(7)10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h1-6,12H;8,12H,4-7H2,1-3H3
InChIKeyAVLDITDBTVMZBN-UHFFFAOYSA-N
MW424.34 g/mol
LogP4.69
Rot. Bonds

About 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate

5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate (PubChem CID 164586124) has the molecular formula C20H26BrNO4 and a molecular weight of 424.34 g/mol. Its IUPAC name is 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate
PubChem CID164586124
Molecular FormulaC20H26BrNO4
Molecular Weight424.34 g/mol
Exact Mass423.10
IUPAC Name5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1.Oc1ccc2c(Br)cccc2c1
InChIInChI=1S/C10H7BrO.C10H19NO3/c11-10-3-1-2-7-6-8(12)4-5-9(7)10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h1-6,12H;8,12H,4-7H2,1-3H3
InChIKeyAVLDITDBTVMZBN-UHFFFAOYSA-N
XLogP4.69
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,4S)-2-(4-bromo-7-hydroxynaphthalen-1-yl)-4-hydroxypiperidine-1-carboxylate
CID 164586232
tert-butyl N-[[1-(5-bromonaphthalene-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 171396385
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-[(5-bromonaphthalen-2-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 171396794
tert-butyl 4-[[(2-bromobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 29264674
tert-butyl 4-(7-bromoquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68755012
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 4-(3-bromobenzoyl)piperidine-1-carboxylate
CID 171314862
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-[4-bromo-2-(tert-butylamino)phenyl]piperidine-1-carboxylate
CID 170437093
tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
CID 166638581

Frequently Asked Questions

What is the IUPAC name of 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate (CID 164586124) is 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)CC1.Oc1ccc2c(Br)cccc2c1.
What is the InChIKey of 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate?
The InChIKey is AVLDITDBTVMZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO.C10H19NO3/c11-10-3-1-2-7-6-8(12)4-5-9(7)10;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h1-6,12H;8,12H,4-7H2,1-3H3.
What are the key properties of 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate?
5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate has a molecular weight of 424.34 g/mol, XLogP of 4.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromonaphthalen-2-ol;tert-butyl 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 164586124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).