tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate

C17H25NO3 — CID 85300298

IUPACtert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate
SMILESCOc1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-10-6-8-14(12-18)13-7-5-9-15(11-13)20-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3
InChIKeyYDMWDRAOIDLZGX-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.81
Rot. Bonds2

About tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate

tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate (PubChem CID 85300298) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate
PubChem CID85300298
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate
SMILESCOc1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-10-6-8-14(12-18)13-7-5-9-15(11-13)20-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3
InChIKeyYDMWDRAOIDLZGX-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate (CID 85300298) is tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate is COc1cccc(C2CCCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate?
The InChIKey is YDMWDRAOIDLZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-10-6-8-14(12-18)13-7-5-9-15(11-13)20-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3.
What are the key properties of tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate?
tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-methoxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 85300298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).