tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate

C19H25N3O2 — CID 178017330

IUPACtert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(N)c3ncccc23)CC1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-11-8-13(9-12-22)14-6-7-16(20)17-15(14)5-4-10-21-17/h4-7,10,13H,8-9,11-12,20H2,1-3H3
InChIKeyZMAJUWZJQJFPKV-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.93
Rot. Bonds1

About tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate

tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate (PubChem CID 178017330) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
PubChem CID178017330
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nametert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(N)c3ncccc23)CC1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-11-8-13(9-12-22)14-6-7-16(20)17-15(14)5-4-10-21-17/h4-7,10,13H,8-9,11-12,20H2,1-3H3
InChIKeyZMAJUWZJQJFPKV-UHFFFAOYSA-N
XLogP3.93
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
CID 75537190
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
CID 121426164
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate (CID 178017330) is tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(N)c3ncccc23)CC1.
What is the InChIKey of tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate?
The InChIKey is ZMAJUWZJQJFPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-11-8-13(9-12-22)14-6-7-16(20)17-15(14)5-4-10-21-17/h4-7,10,13H,8-9,11-12,20H2,1-3H3.
What are the key properties of tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 178017330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).