tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate

C20H31NO3 — CID 130203154

IUPACtert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate
SMILESCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(C)C)c1
InChIInChI=1S/C20H31NO3/c1-14(2)18-13-16(23-6)7-8-17(18)15-9-11-21(12-10-15)19(22)24-20(3,4)5/h7-8,13-15H,9-12H2,1-6H3
InChIKeyVZOZXNXOGIEGKU-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.93
Rot. Bonds3

About tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate

tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate (PubChem CID 130203154) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate
PubChem CID130203154
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Nametert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate
SMILESCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(C)C)c1
InChIInChI=1S/C20H31NO3/c1-14(2)18-13-16(23-6)7-8-17(18)15-9-11-21(12-10-15)19(22)24-20(3,4)5/h7-8,13-15H,9-12H2,1-6H3
InChIKeyVZOZXNXOGIEGKU-UHFFFAOYSA-N
XLogP4.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 11279519
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
tert-butyl 3-(2-chloro-5-methoxyphenyl)pyrrolidine-1-carboxylate
CID 169498413
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
tert-butyl 4-[2-[(1S)-1-acetamidoethyl]-4-chlorophenyl]piperidine-1-carboxylate
CID 11668043
2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 23655676
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 171985225
tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate
CID 18446887
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate (CID 130203154) is tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate is COc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(C)C)c1.
What is the InChIKey of tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate?
The InChIKey is VZOZXNXOGIEGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-14(2)18-13-16(23-6)7-8-17(18)15-9-11-21(12-10-15)19(22)24-20(3,4)5/h7-8,13-15H,9-12H2,1-6H3.
What are the key properties of tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate?
tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate has a molecular weight of 333.47 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 130203154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).