(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine

C16H18FNO — CID 67157799

IUPAC(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine
SMILESFc1ccc(-c2ccc(C[C@@H]3CCCCN3)o2)cc1
InChIInChI=1S/C16H18FNO/c17-13-6-4-12(5-7-13)16-9-8-15(19-16)11-14-3-1-2-10-18-14/h4-9,14,18H,1-3,10-11H2/t14-/m0/s1
InChIKeyOSTSANKYORWWOO-AWEZNQCLSA-N
MW259.32 g/mol
LogP3.77
Rot. Bonds3

About (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine

(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine (PubChem CID 67157799) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine
PubChem CID67157799
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine
SMILESFc1ccc(-c2ccc(C[C@@H]3CCCCN3)o2)cc1
InChIInChI=1S/C16H18FNO/c17-13-6-4-12(5-7-13)16-9-8-15(19-16)11-14-3-1-2-10-18-14/h4-9,14,18H,1-3,10-11H2/t14-/m0/s1
InChIKeyOSTSANKYORWWOO-AWEZNQCLSA-N
XLogP3.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine?
The IUPAC name of (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine (CID 67157799) is (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine?
The canonical SMILES for (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine is Fc1ccc(-c2ccc(C[C@@H]3CCCCN3)o2)cc1.
What is the InChIKey of (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine?
The InChIKey is OSTSANKYORWWOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18FNO/c17-13-6-4-12(5-7-13)16-9-8-15(19-16)11-14-3-1-2-10-18-14/h4-9,14,18H,1-3,10-11H2/t14-/m0/s1.
What are the key properties of (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine?
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine has a molecular weight of 259.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methyl]piperidine is sourced from PubChem (CID 67157799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).