tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate

C18H26ClNO4 — CID 58772528

IUPACtert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate
SMILESCOc1ccc(Cl)cc1C1(OC)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H26ClNO4/c1-17(2,3)24-16(21)20-10-8-18(23-5,9-11-20)14-12-13(19)6-7-15(14)22-4/h6-7,12H,8-11H2,1-5H3
InChIKeyZHFPRMNLHONHBO-UHFFFAOYSA-N
MW355.86 g/mol
LogP4.22
Rot. Bonds3

About tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate

tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate (PubChem CID 58772528) has the molecular formula C18H26ClNO4 and a molecular weight of 355.86 g/mol. Its IUPAC name is tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate
PubChem CID58772528
Molecular FormulaC18H26ClNO4
Molecular Weight355.86 g/mol
Exact Mass355.16
IUPAC Nametert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate
SMILESCOc1ccc(Cl)cc1C1(OC)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H26ClNO4/c1-17(2,3)24-16(21)20-10-8-18(23-5,9-11-20)14-12-13(19)6-7-15(14)22-4/h6-7,12H,8-11H2,1-5H3
InChIKeyZHFPRMNLHONHBO-UHFFFAOYSA-N
XLogP4.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68503586
tert-butyl 3-(5-chloro-2-methoxybenzoyl)pyrrolidine-1-carboxylate
CID 107091953
tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate
CID 164596786
tert-butyl 4-(4-chlorophenyl)-4-methoxy-3-oxopiperidine-1-carboxylate
CID 66758561
tert-butyl 4-(2,6-dichloro-4-pyridinyl)-4-methylpiperidine-1-carboxylate
CID 122503159
tert-butyl 4-[[2-(2,4-dichlorophenoxy)-2-methylpropanoyl]amino]-4-isocyanopiperidine-1-carboxylate
CID 123392006
tert-butyl 2-(4-chloro-2-fluorophenyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 164573214
tert-butyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 71909700
tert-butyl 4-(5-chloro-1-benzothiophen-3-yl)-4-hydroxypiperidine-1-carboxylate
CID 21268335
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperazine-1-carboxylate
CID 155937830
tert-butyl 4-(4-chlorophenyl)-4-(propan-2-ylsulfinylamino)piperidine-1-carboxylate
CID 71512172
tert-butyl 2-(5-tert-butyl-2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 156864591

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate (CID 58772528) is tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate is COc1ccc(Cl)cc1C1(OC)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate?
The InChIKey is ZHFPRMNLHONHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO4/c1-17(2,3)24-16(21)20-10-8-18(23-5,9-11-20)14-12-13(19)6-7-15(14)22-4/h6-7,12H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate?
tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate has a molecular weight of 355.86 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 58772528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).