tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate

C19H24N2O2S — CID 141375199

IUPACtert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Sc2ccnc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)23-18(22)21-12-9-14(10-13-21)24-17-8-11-20-16-7-5-4-6-15(16)17/h4-8,11,14H,9-10,12-13H2,1-3H3
InChIKeyYPUCHCDMFUQZHR-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.73
Rot. Bonds2

About tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate

tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate (PubChem CID 141375199) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate
PubChem CID141375199
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Nametert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Sc2ccnc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2S/c1-19(2,3)23-18(22)21-12-9-14(10-13-21)24-17-8-11-20-16-7-5-4-6-15(16)17/h4-8,11,14H,9-10,12-13H2,1-3H3
InChIKeyYPUCHCDMFUQZHR-UHFFFAOYSA-N
XLogP4.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylnaphthalen-1-yl]piperazine-1-carboxylate
CID 130367120
tert-butyl 4-quinoxalin-2-ylsulfanylpiperidine-1-carboxylate
CID 71303203
tert-butyl 4-(2-fluorophenyl)sulfanylpiperidine-1-carboxylate
CID 118159157
tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 164884595
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 4-(2-quinolin-4-yl-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 167762752
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[(4-cyano-2-pyridinyl)sulfanyl]piperidine-1-carboxylate
CID 71303112
tert-butyl (3S)-3-(quinolin-5-ylamino)pyrrolidine-1-carboxylate
CID 156685077
tert-butyl 3-[methyl(quinolin-5-yl)amino]pyrrolidine-1-carboxylate
CID 175301049
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 3-[2-(trifluoromethyl)phenyl]sulfanylpyrrolidine-1-carboxylate
CID 156543555

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate (CID 141375199) is tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Sc2ccnc3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate?
The InChIKey is YPUCHCDMFUQZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,3)23-18(22)21-12-9-14(10-13-21)24-17-8-11-20-16-7-5-4-6-15(16)17/h4-8,11,14H,9-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate?
tert-butyl 4-quinolin-4-ylsulfanylpiperidine-1-carboxylate has a molecular weight of 344.48 g/mol, XLogP of 4.73, 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-4-ylsulfanylpiperidine-1-carboxylate is sourced from PubChem (CID 141375199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).