tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate

C19H29N3O2 — CID 53392448

IUPACtert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCc3cc(N)ccc32)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)21-11-8-16(9-12-21)22-10-4-5-14-13-15(20)6-7-17(14)22/h6-7,13,16H,4-5,8-12,20H2,1-3H3
InChIKeyAREKAOYNSTUEQR-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.42
Rot. Bonds1

About tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate (PubChem CID 53392448) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate
PubChem CID53392448
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nametert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCc3cc(N)ccc32)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)21-11-8-16(9-12-21)22-10-4-5-14-13-15(20)6-7-17(14)22/h6-7,13,16H,4-5,8-12,20H2,1-3H3
InChIKeyAREKAOYNSTUEQR-UHFFFAOYSA-N
XLogP3.42
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.42
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

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CID 170749699
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tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate;hydrochloride
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CID 55978207
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CID 67472855
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 90028532

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate (CID 53392448) is tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCCc3cc(N)ccc32)CC1.
What is the InChIKey of tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate?
The InChIKey is AREKAOYNSTUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)21-11-8-16(9-12-21)22-10-4-5-14-13-15(20)6-7-17(14)22/h6-7,13,16H,4-5,8-12,20H2,1-3H3.
What are the key properties of tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-3,4-dihydro-2H-quinolin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 53392448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).