(4-butoxycarbonylphenyl) piperidine-1-carboxylate

C17H23NO4 — CID 13371959

IUPAC(4-butoxycarbonylphenyl) piperidine-1-carboxylate
SMILESCCCCOC(=O)c1ccc(OC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-3-13-21-16(19)14-7-9-15(10-8-14)22-17(20)18-11-5-4-6-12-18/h7-10H,2-6,11-13H2,1H3
InChIKeyOEZQSUXOLWRXQW-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.63
Rot. Bonds5

About (4-butoxycarbonylphenyl) piperidine-1-carboxylate

(4-butoxycarbonylphenyl) piperidine-1-carboxylate (PubChem CID 13371959) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (4-butoxycarbonylphenyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-butoxycarbonylphenyl) piperidine-1-carboxylate
PubChem CID13371959
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(4-butoxycarbonylphenyl) piperidine-1-carboxylate
SMILESCCCCOC(=O)c1ccc(OC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-2-3-13-21-16(19)14-7-9-15(10-8-14)22-17(20)18-11-5-4-6-12-18/h7-10H,2-6,11-13H2,1H3
InChIKeyOEZQSUXOLWRXQW-UHFFFAOYSA-N
XLogP3.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-O-[4-(4-decoxyphenoxy)carbonylphenyl] 4-O-octyl piperidine-1,4-dicarboxylate
CID 14473784
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl 4-(4-butoxycarbonylphenoxy)benzoate
CID 139890645
butyl 4-(4-piperidin-1-ylphenyl)sulfonylbenzoate
CID 21178229
[4-[6-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyhexoxycarbonyl]phenyl] 4-dodecoxybenzoate
CID 101359689
4-O-[4-(4-decoxybenzoyl)oxyphenyl] 1-O-octyl piperidine-1,4-dicarboxylate
CID 14473774
butyl 4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoate
CID 129101711
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
butyl 4-dimethoxyboranylbenzoate
CID 11107747
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
(4-butoxycarbonylphenyl) 4-(4-methylbenzoyl)benzoate
CID 58757911

Frequently Asked Questions

What is the IUPAC name of (4-butoxycarbonylphenyl) piperidine-1-carboxylate?
The IUPAC name of (4-butoxycarbonylphenyl) piperidine-1-carboxylate (CID 13371959) is (4-butoxycarbonylphenyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-butoxycarbonylphenyl) piperidine-1-carboxylate?
The canonical SMILES for (4-butoxycarbonylphenyl) piperidine-1-carboxylate is CCCCOC(=O)c1ccc(OC(=O)N2CCCCC2)cc1.
What is the InChIKey of (4-butoxycarbonylphenyl) piperidine-1-carboxylate?
The InChIKey is OEZQSUXOLWRXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-3-13-21-16(19)14-7-9-15(10-8-14)22-17(20)18-11-5-4-6-12-18/h7-10H,2-6,11-13H2,1H3.
What are the key properties of (4-butoxycarbonylphenyl) piperidine-1-carboxylate?
(4-butoxycarbonylphenyl) piperidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxycarbonylphenyl) piperidine-1-carboxylate is sourced from PubChem (CID 13371959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).