tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate

C20H26N2O2 — CID 59141009

IUPACtert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
SMILESCc1ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1
InChIInChI=1S/C20H26N2O2/c1-14-8-9-17-16(6-5-7-18(17)21-14)15-10-12-22(13-11-15)19(23)24-20(2,3)4/h5-9,15H,10-13H2,1-4H3
InChIKeyKTLZBJXNYVPTQA-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.66
Rot. Bonds1

About tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate (PubChem CID 59141009) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
PubChem CID59141009
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nametert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
SMILESCc1ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1
InChIInChI=1S/C20H26N2O2/c1-14-8-9-17-16(6-5-7-18(17)21-14)15-10-12-22(13-11-15)19(23)24-20(2,3)4/h5-9,15H,10-13H2,1-4H3
InChIKeyKTLZBJXNYVPTQA-UHFFFAOYSA-N
XLogP4.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(6-methylnaphthalen-1-yl)piperidine-1-carboxylate;4-(6-methylnaphthalen-1-yl)piperidine;hydrochloride
CID 161199294
tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-(6-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate;5-piperidin-4-ylnaphthalene-2-carboxamide;hydrochloride
CID 162194135
tert-butyl 4-(2-benzylphenyl)piperidine-1-carboxylate
CID 21193104
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
CID 166132108

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate (CID 59141009) is tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate is Cc1ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1.
What is the InChIKey of tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate?
The InChIKey is KTLZBJXNYVPTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-8-9-17-16(6-5-7-18(17)21-14)15-10-12-22(13-11-15)19(23)24-20(2,3)4/h5-9,15H,10-13H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 59141009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).