tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate

C19H26N4O2 — CID 71212336

IUPACtert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(N)cnc3ccccc23)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)23-10-6-7-13(12-23)22-17-14-8-4-5-9-16(14)21-11-15(17)20/h4-5,8-9,11,13H,6-7,10,12,20H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyDAERAMUCJWRQKZ-CYBMUJFWSA-N
MW342.44 g/mol
LogP3.63
Rot. Bonds2

About tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 71212336) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate
PubChem CID71212336
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(N)cnc3ccccc23)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)23-10-6-7-13(12-23)22-17-14-8-4-5-9-16(14)21-11-15(17)20/h4-5,8-9,11,13H,6-7,10,12,20H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyDAERAMUCJWRQKZ-CYBMUJFWSA-N
XLogP3.63
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate
CID 118101718
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538
tert-butyl (3S)-3-(quinolin-5-ylamino)pyrrolidine-1-carboxylate
CID 156685077
4-N-(1-methylpyrrolidin-3-yl)quinoline-3,4-diamine
CID 113359410
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl 4-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]piperidine-1-carboxylate
CID 86717453
tert-butyl (3R)-3-[(3-oxo-2H-isoquinolin-1-yl)amino]piperidine-1-carboxylate
CID 141416053
tert-butyl (3R)-3-[(quinoxalin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95929019
4-N-(3,4-dimethylcyclohexyl)quinoline-3,4-diamine
CID 103963377

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate (CID 71212336) is tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(N)cnc3ccccc23)C1.
What is the InChIKey of tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is DAERAMUCJWRQKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)23-10-6-7-13(12-23)22-17-14-8-4-5-9-16(14)21-11-15(17)20/h4-5,8-9,11,13H,6-7,10,12,20H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71212336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).