4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid

C30H28FNO4 — CID 22127187

IUPAC4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3ccccc3c2OCc2ccccc2)C1
InChIInChI=1S/C30H28FNO4/c31-25-14-12-23(13-15-25)26-16-17-32(30(33)34)18-28(26)35-20-24-11-10-22-8-4-5-9-27(22)29(24)36-19-21-6-2-1-3-7-21/h1-15,26,28H,16-20H2,(H,33,34)
InChIKeyUKBXEDSJIXTBGA-UHFFFAOYSA-N
MW485.56 g/mol
LogP6.61
Rot. Bonds7

About 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid (PubChem CID 22127187) has the molecular formula C30H28FNO4 and a molecular weight of 485.56 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
PubChem CID22127187
Molecular FormulaC30H28FNO4
Molecular Weight485.56 g/mol
Exact Mass485.20
IUPAC Name4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3ccccc3c2OCc2ccccc2)C1
InChIInChI=1S/C30H28FNO4/c31-25-14-12-23(13-15-25)26-16-17-32(30(33)34)18-28(26)35-20-24-11-10-22-8-4-5-9-27(22)29(24)36-19-21-6-2-1-3-7-21/h1-15,26,28H,16-20H2,(H,33,34)
InChIKeyUKBXEDSJIXTBGA-UHFFFAOYSA-N
XLogP6.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.56
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid (CID 22127187) is 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3ccccc3c2OCc2ccccc2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?
The InChIKey is UKBXEDSJIXTBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FNO4/c31-25-14-12-23(13-15-25)26-16-17-32(30(33)34)18-28(26)35-20-24-11-10-22-8-4-5-9-27(22)29(24)36-19-21-6-2-1-3-7-21/h1-15,26,28H,16-20H2,(H,33,34).
What are the key properties of 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?
4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid has a molecular weight of 485.56 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 22127187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).