4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate

C23H19FNO4- — CID 22126600

IUPAC4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate
SMILESO=C(OC1CN(C(=O)[O-])CCC1c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H20FNO4/c24-19-9-7-16(8-10-19)20-11-12-25(23(27)28)14-21(20)29-22(26)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13,20-21H,11-12,14H2,(H,27,28)/p-1
InChIKeyUMAOBVHPBWOTQN-UHFFFAOYSA-M
MW392.41 g/mol
LogP3.34
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate

4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate (PubChem CID 22126600) has the molecular formula C23H19FNO4- and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate
PubChem CID22126600
Molecular FormulaC23H19FNO4-
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate
SMILESO=C(OC1CN(C(=O)[O-])CCC1c1ccc(F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H20FNO4/c24-19-9-7-16(8-10-19)20-11-12-25(23(27)28)14-21(20)29-22(26)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13,20-21H,11-12,14H2,(H,27,28)/p-1
InChIKeyUMAOBVHPBWOTQN-UHFFFAOYSA-M
XLogP3.34
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 22128638
4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127455
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylate
CID 22128353
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382
4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128531
4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128461
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103
4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
CID 22127028

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate?
The IUPAC name of 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate (CID 22126600) is 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate?
The canonical SMILES for 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate is O=C(OC1CN(C(=O)[O-])CCC1c1ccc(F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate?
The InChIKey is UMAOBVHPBWOTQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20FNO4/c24-19-9-7-16(8-10-19)20-11-12-25(23(27)28)14-21(20)29-22(26)18-6-5-15-3-1-2-4-17(15)13-18/h1-10,13,20-21H,11-12,14H2,(H,27,28)/p-1.
What are the key properties of 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate?
4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 22126600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).