(2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate

C31H30FNO3 — CID 22126903

IUPAC(2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESO=C(OC(Cc1ccc2ccccc2c1)OCc1ccccc1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C31H30FNO3/c32-29-14-12-26(13-15-29)27-16-18-33(19-17-27)31(34)36-30(35-22-23-6-2-1-3-7-23)21-24-10-11-25-8-4-5-9-28(25)20-24/h1-15,20,27,30H,16-19,21-22H2
InChIKeyKFPKVOOVYMLNBP-UHFFFAOYSA-N
MW483.58 g/mol
LogP7.08
Rot. Bonds7

About (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate

(2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 22126903) has the molecular formula C31H30FNO3 and a molecular weight of 483.58 g/mol. Its IUPAC name is (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate
PubChem CID22126903
Molecular FormulaC31H30FNO3
Molecular Weight483.58 g/mol
Exact Mass483.22
IUPAC Name(2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESO=C(OC(Cc1ccc2ccccc2c1)OCc1ccccc1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C31H30FNO3/c32-29-14-12-26(13-15-29)27-16-18-33(19-17-27)31(34)36-30(35-22-23-6-2-1-3-7-23)21-24-10-11-25-8-4-5-9-28(25)20-24/h1-15,20,27,30H,16-19,21-22H2
InChIKeyKFPKVOOVYMLNBP-UHFFFAOYSA-N
XLogP7.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate (CID 22126903) is (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate is O=C(OC(Cc1ccc2ccccc2c1)OCc1ccccc1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is KFPKVOOVYMLNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FNO3/c32-29-14-12-26(13-15-29)27-16-18-33(19-17-27)31(34)36-30(35-22-23-6-2-1-3-7-23)21-24-10-11-25-8-4-5-9-28(25)20-24/h1-15,20,27,30H,16-19,21-22H2.
What are the key properties of (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate?
(2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 483.58 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-1-phenylmethoxyethyl) 4-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 22126903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).