tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate

C19H24N2O3 — CID 118114502

IUPACtert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2nccc3ccccc23)C1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-6-8-15(13-21)23-17-16-9-5-4-7-14(16)10-11-20-17/h4-5,7,9-11,15H,6,8,12-13H2,1-3H3
InChIKeyZTEQKJXUGBTQKV-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.01
Rot. Bonds2

About tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate

tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate (PubChem CID 118114502) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
PubChem CID118114502
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2nccc3ccccc23)C1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-6-8-15(13-21)23-17-16-9-5-4-7-14(16)10-11-20-17/h4-5,7,9-11,15H,6,8,12-13H2,1-3H3
InChIKeyZTEQKJXUGBTQKV-UHFFFAOYSA-N
XLogP4.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate
CID 71648506
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630577
tert-butyl 3-(3-cyanoisoquinolin-1-yl)oxypyrrolidine-1-carboxylate;ethane
CID 145378880
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate (CID 118114502) is tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Oc2nccc3ccccc23)C1.
What is the InChIKey of tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate?
The InChIKey is ZTEQKJXUGBTQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-6-8-15(13-21)23-17-16-9-5-4-7-14(16)10-11-20-17/h4-5,7,9-11,15H,6,8,12-13H2,1-3H3.
What are the key properties of tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate?
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate is sourced from PubChem (CID 118114502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).