(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate

C20H23NO2 — CID 139337231

IUPAC(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate
SMILESCc1ccc(OC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H23NO2/c1-15-3-7-18(8-4-15)21-13-11-17(12-14-21)20(22)23-19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3
InChIKeyVIJWTTLWRWSJOP-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.13
Rot. Bonds3

About (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate

(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate (PubChem CID 139337231) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate
PubChem CID139337231
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate
SMILESCc1ccc(OC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H23NO2/c1-15-3-7-18(8-4-15)21-13-11-17(12-14-21)20(22)23-19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3
InChIKeyVIJWTTLWRWSJOP-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
CID 160876480
(4-methylphenyl) 4-(silylmethyl)cyclohexane-1-carboxylate
CID 123331148
(4-pyrrolidin-1-ylphenyl) 4-pentylcyclohexane-1-carboxylate
CID 102132847
[(3Z,7Z)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl] 1-(4-methylphenyl)piperidine-4-carboxylate
CID 154692031
[4-(4-methylphenyl)phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 54254635
(4-methylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 26097310
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
ethene;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-methylcyclohexane-1-carboxylate
CID 54498488
tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
CID 69482474
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate?
The IUPAC name of (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate (CID 139337231) is (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate?
The canonical SMILES for (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate is Cc1ccc(OC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate?
The InChIKey is VIJWTTLWRWSJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-3-7-18(8-4-15)21-13-11-17(12-14-21)20(22)23-19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3.
What are the key properties of (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate?
(4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 1-(4-methylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 139337231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).