(4-tert-butylphenyl) piperidine-1-carboxylate

C16H23NO2 — CID 975065

IUPAC(4-tert-butylphenyl) piperidine-1-carboxylate
SMILESCC(C)(C)c1ccc(OC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-7-9-14(10-8-13)19-15(18)17-11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyOXPPGXNQBIWJMN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.97
Rot. Bonds1

About (4-tert-butylphenyl) piperidine-1-carboxylate

(4-tert-butylphenyl) piperidine-1-carboxylate (PubChem CID 975065) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-tert-butylphenyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-tert-butylphenyl) piperidine-1-carboxylate
PubChem CID975065
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4-tert-butylphenyl) piperidine-1-carboxylate
SMILESCC(C)(C)c1ccc(OC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)13-7-9-14(10-8-13)19-15(18)17-11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyOXPPGXNQBIWJMN-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) piperidine-1-carboxylate?
The IUPAC name of (4-tert-butylphenyl) piperidine-1-carboxylate (CID 975065) is (4-tert-butylphenyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-tert-butylphenyl) piperidine-1-carboxylate?
The canonical SMILES for (4-tert-butylphenyl) piperidine-1-carboxylate is CC(C)(C)c1ccc(OC(=O)N2CCCCC2)cc1.
What is the InChIKey of (4-tert-butylphenyl) piperidine-1-carboxylate?
The InChIKey is OXPPGXNQBIWJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)13-7-9-14(10-8-13)19-15(18)17-11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of (4-tert-butylphenyl) piperidine-1-carboxylate?
(4-tert-butylphenyl) piperidine-1-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) piperidine-1-carboxylate is sourced from PubChem (CID 975065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).