tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate

C22H30N2O3 — CID 177017600

IUPACtert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate
SMILESCc1cc2ncccc2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1(C)C
InChIInChI=1S/C22H30N2O3/c1-15-12-18-16(8-7-10-23-18)13-17(15)22(26)9-11-24(14-21(22,5)6)19(25)27-20(2,3)4/h7-8,10,12-13,26H,9,11,14H2,1-6H3
InChIKeyVVLJDVSKEZSOEU-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.40
Rot. Bonds1

About tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate (PubChem CID 177017600) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate
PubChem CID177017600
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Nametert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate
SMILESCc1cc2ncccc2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1(C)C
InChIInChI=1S/C22H30N2O3/c1-15-12-18-16(8-7-10-23-18)13-17(15)22(26)9-11-24(14-21(22,5)6)19(25)27-20(2,3)4/h7-8,10,12-13,26H,9,11,14H2,1-6H3
InChIKeyVVLJDVSKEZSOEU-UHFFFAOYSA-N
XLogP4.40
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-hydroxy-3-quinolin-6-ylazetidine-1-carboxylate
CID 103775238
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 3,3-dimethylpyrrolidine-1-carboxylate;3-chloro-2-methoxypyridine
CID 156848103
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 177016082
tert-butyl 4-(1-quinolin-7-ylethyl)piperazine-1-carboxylate
CID 142414052
ditert-butyl (3S)-3-[[(2-methyl-3-pyridinyl)amino]methyl]pyrrolidine-1,3-dicarboxylate
CID 69194526
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyrimidin-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719560
tert-butyl 4-(2-aminoethyl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 68895447
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
lithium;butane;tert-butyl 4-hydroxy-4-(3-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 87898685
tert-butyl 2-cyano-2-(4-quinolin-7-ylphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 146471062
tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 99713936

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate (CID 177017600) is tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate is Cc1cc2ncccc2cc1C1(O)CCN(C(=O)OC(C)(C)C)CC1(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate?
The InChIKey is VVLJDVSKEZSOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15-12-18-16(8-7-10-23-18)13-17(15)22(26)9-11-24(14-21(22,5)6)19(25)27-20(2,3)4/h7-8,10,12-13,26H,9,11,14H2,1-6H3.
What are the key properties of tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-3,3-dimethyl-4-(7-methylquinolin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 177017600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).