1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate

C16H22FNO3 — CID 67810074

IUPAC1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCCC(O)C1c1ccccc1
InChIInChI=1S/C16H22FNO3/c1-2-7-14(17)21-16(20)18-11-6-10-13(19)15(18)12-8-4-3-5-9-12/h3-5,8-9,13-15,19H,2,6-7,10-11H2,1H3
InChIKeyQVSDWAUMPOANPY-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.42
Rot. Bonds4

About 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate

1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate (PubChem CID 67810074) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Name1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate
PubChem CID67810074
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCCC(O)C1c1ccccc1
InChIInChI=1S/C16H22FNO3/c1-2-7-14(17)21-16(20)18-11-6-10-13(19)15(18)12-8-4-3-5-9-12/h3-5,8-9,13-15,19H,2,6-7,10-11H2,1H3
InChIKeyQVSDWAUMPOANPY-UHFFFAOYSA-N
XLogP3.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate?
The IUPAC name of 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate (CID 67810074) is 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate.
What is the SMILES notation for 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate?
The canonical SMILES for 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate is CCCC(F)OC(=O)N1CCCC(O)C1c1ccccc1.
What is the InChIKey of 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate?
The InChIKey is QVSDWAUMPOANPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-2-7-14(17)21-16(20)18-11-6-10-13(19)15(18)12-8-4-3-5-9-12/h3-5,8-9,13-15,19H,2,6-7,10-11H2,1H3.
What are the key properties of 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate?
1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate has a molecular weight of 295.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl 3-hydroxy-2-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 67810074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).