tert-butyl 3-phenylpiperidine-1-carboxylate

C16H23NO2 — CID 57440165

IUPACtert-butyl 3-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-11-7-10-14(12-17)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyUASWAQXJHNSVQO-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.80
Rot. Bonds1

About tert-butyl 3-phenylpiperidine-1-carboxylate

tert-butyl 3-phenylpiperidine-1-carboxylate (PubChem CID 57440165) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl 3-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-phenylpiperidine-1-carboxylate
PubChem CID57440165
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 3-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-11-7-10-14(12-17)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyUASWAQXJHNSVQO-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
CID 168512802
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate
CID 174864057
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-(4-bromo-2,3,5,6-tetradeuteriophenyl)piperidine-1-carboxylate
CID 162467774
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-phenylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-phenylpiperidine-1-carboxylate (CID 57440165) is tert-butyl 3-phenylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-phenylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-phenylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-phenylpiperidine-1-carboxylate?
The InChIKey is UASWAQXJHNSVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)17-11-7-10-14(12-17)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3.
What are the key properties of tert-butyl 3-phenylpiperidine-1-carboxylate?
tert-butyl 3-phenylpiperidine-1-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 57440165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).