tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate

C20H26N2O2 — CID 174880299

IUPACtert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-11-8-15(9-12-22)13-16-6-7-18-17(14-16)5-4-10-21-18/h4-7,10,14-15H,8-9,11-13H2,1-3H3
InChIKeySWBOCEMIGODUTD-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.42
Rot. Bonds2

About tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate (PubChem CID 174880299) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
PubChem CID174880299
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nametert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-11-8-15(9-12-22)13-16-6-7-18-17(14-16)5-4-10-21-18/h4-7,10,14-15H,8-9,11-13H2,1-3H3
InChIKeySWBOCEMIGODUTD-UHFFFAOYSA-N
XLogP4.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
CID 103748619
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455
tert-butyl 4-[(3-tert-butylphenyl)methyl]piperidine-1-carboxylate
CID 10735287
tert-butyl 4-(1-benzothiophen-5-ylmethyl)piperidine-1-carboxylate
CID 10496741
methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate
CID 164602310
tert-butyl 4-[[4-(dimethylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989102
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124983487
pyrimidin-4-yl-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124975155
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124963940
(4-methyl-1,3-oxazol-5-yl)-[4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 110098792
tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
CID 103775238

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate (CID 174880299) is tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate?
The InChIKey is SWBOCEMIGODUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-11-8-15(9-12-22)13-16-6-7-18-17(14-16)5-4-10-21-18/h4-7,10,14-15H,8-9,11-13H2,1-3H3.
What are the key properties of tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 174880299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).