(2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate

C18H17Cl2NO2 — CID 90850146

IUPAC(2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate
SMILESO=C(Oc1cccc(Cl)c1Cl)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H17Cl2NO2/c19-14-7-4-8-15(16(14)20)23-17(22)18(9-11-21-12-10-18)13-5-2-1-3-6-13/h1-8,21H,9-12H2
InChIKeyCXNKXOSOLMZCLA-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.22
Rot. Bonds3

About (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate

(2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate (PubChem CID 90850146) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate
PubChem CID90850146
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name(2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate
SMILESO=C(Oc1cccc(Cl)c1Cl)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H17Cl2NO2/c19-14-7-4-8-15(16(14)20)23-17(22)18(9-11-21-12-10-18)13-5-2-1-3-6-13/h1-8,21H,9-12H2
InChIKeyCXNKXOSOLMZCLA-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
CID 20511851
fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
CID 143493859
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
piperidin-4-yl 1-phenylcycloheptane-1-carboxylate
CID 90705729
(2,3-dichlorophenyl) 2,2-diphenylacetate
CID 5086798
4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 82803603
benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
CID 52949668
ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate
CID 20511819
4-O-(2,3-dichlorophenyl) 1-O-phenyl butanedioate
CID 91726923
4-(3-aminophenyl)piperidine-4-carboxylic acid
CID 103194003
3-(2-chlorophenoxy)pyrrolidine-3-carboxylic acid
CID 84702837
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate?
The IUPAC name of (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate (CID 90850146) is (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate?
The canonical SMILES for (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate is O=C(Oc1cccc(Cl)c1Cl)C1(c2ccccc2)CCNCC1.
What is the InChIKey of (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate?
The InChIKey is CXNKXOSOLMZCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c19-14-7-4-8-15(16(14)20)23-17(22)18(9-11-21-12-10-18)13-5-2-1-3-6-13/h1-8,21H,9-12H2.
What are the key properties of (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate?
(2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate has a molecular weight of 350.25 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 90850146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).