tert-butyl 1-phenoxypiperidine-2-carboxylate

C16H23NO3 — CID 173183705

IUPACtert-butyl 1-phenoxypiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCCN1Oc1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)19-15(18)14-11-7-8-12-17(14)20-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3
InChIKeyKZJSLDFZMGPWLF-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl 1-phenoxypiperidine-2-carboxylate

tert-butyl 1-phenoxypiperidine-2-carboxylate (PubChem CID 173183705) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl 1-phenoxypiperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-phenoxypiperidine-2-carboxylate
PubChem CID173183705
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl 1-phenoxypiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCCN1Oc1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)19-15(18)14-11-7-8-12-17(14)20-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3
InChIKeyKZJSLDFZMGPWLF-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-phenoxypiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(4-phenylphenoxy)pyrrolidine-2-carboxylate
CID 68682512
tert-butyl 1-(phenylcarbamoyl)piperidine-2-carboxylate
CID 173109940
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
tert-butyl (2S)-1-(1H-indol-3-ylmethyl)piperidine-2-carboxylate
CID 110189012
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
phenyl 1-methylpyrrolidine-2-carboxylate
CID 57101862
2-ethyl-1-phenoxypiperidine
CID 70297731
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-phenoxypiperidine-2-carboxylate?
The IUPAC name of tert-butyl 1-phenoxypiperidine-2-carboxylate (CID 173183705) is tert-butyl 1-phenoxypiperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-phenoxypiperidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-phenoxypiperidine-2-carboxylate is CC(C)(C)OC(=O)C1CCCCN1Oc1ccccc1.
What is the InChIKey of tert-butyl 1-phenoxypiperidine-2-carboxylate?
The InChIKey is KZJSLDFZMGPWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)19-15(18)14-11-7-8-12-17(14)20-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3.
What are the key properties of tert-butyl 1-phenoxypiperidine-2-carboxylate?
tert-butyl 1-phenoxypiperidine-2-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-phenoxypiperidine-2-carboxylate is sourced from PubChem (CID 173183705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).