tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate

C19H24N2O3 — CID 170614892

IUPACtert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cccc3ncccc23)CC1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-9-14(10-13-21)23-17-8-4-7-16-15(17)6-5-11-20-16/h4-8,11,14H,9-10,12-13H2,1-3H3
InChIKeyKRTMURIQANPABZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.01
Rot. Bonds2

About tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate

tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate (PubChem CID 170614892) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
PubChem CID170614892
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cccc3ncccc23)CC1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-9-14(10-13-21)23-17-8-4-7-16-15(17)6-5-11-20-16/h4-8,11,14H,9-10,12-13H2,1-3H3
InChIKeyKRTMURIQANPABZ-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 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 3-[methyl(quinolin-5-yl)amino]pyrrolidine-1-carboxylate
CID 175301049
tert-butyl (3S)-3-(quinolin-5-ylamino)pyrrolidine-1-carboxylate
CID 156685077
tert-butyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxynaphthalen-1-yl]piperazine-1-carboxylate
CID 130367060
tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate
CID 141375199
tert-butyl 4-(7-bromoquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68755012
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 4-(4-piperazin-1-ylnaphthalen-1-yl)oxypiperidine-1-carboxylate
CID 130377878
tert-butyl 4-(5-bromoisoquinolin-8-yl)oxypiperidine-1-carboxylate
CID 130367043
tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
CID 11255100
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-(2-fluoro-3-nitrophenoxy)piperidine-1-carboxylate
CID 118429685

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate (CID 170614892) is tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cccc3ncccc23)CC1.
What is the InChIKey of tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate?
The InChIKey is KRTMURIQANPABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)21-12-9-14(10-13-21)23-17-8-4-7-16-15(17)6-5-11-20-16/h4-8,11,14H,9-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate?
tert-butyl 4-quinolin-5-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 4-quinolin-5-yloxypiperidine-1-carboxylate is sourced from PubChem (CID 170614892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).