tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate

C19H24N2O2 — CID 102544437

IUPACtert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccc2ncccc2c1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-12-5-4-8-17(21)15-9-10-16-14(13-15)7-6-11-20-16/h6-7,9-11,13,17H,4-5,8,12H2,1-3H3
InChIKeyVXGAVYNQGFCYTN-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.70
Rot. Bonds1

About tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate

tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate (PubChem CID 102544437) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate
PubChem CID102544437
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nametert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccc2ncccc2c1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-12-5-4-8-17(21)15-9-10-16-14(13-15)7-6-11-20-16/h6-7,9-11,13,17H,4-5,8,12H2,1-3H3
InChIKeyVXGAVYNQGFCYTN-UHFFFAOYSA-N
XLogP4.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 102390009
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate
CID 83404783
tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541520
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848
tert-butyl 2-(3-trimethylsilylphenyl)pyrrolidine-1-carboxylate
CID 71207301
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171942050

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate (CID 102544437) is tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1ccc2ncccc2c1.
What is the InChIKey of tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate?
The InChIKey is VXGAVYNQGFCYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-12-5-4-8-17(21)15-9-10-16-14(13-15)7-6-11-20-16/h6-7,9-11,13,17H,4-5,8,12H2,1-3H3.
What are the key properties of tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate?
tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate is sourced from PubChem (CID 102544437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).