(3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine

C18H26FNO — CID 141046163

IUPAC(3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine
SMILESFc1ccc(C[C@@H]2CCCN(CC3CCOCC3)C2)cc1
InChIInChI=1S/C18H26FNO/c19-18-5-3-15(4-6-18)12-17-2-1-9-20(14-17)13-16-7-10-21-11-8-16/h3-6,16-17H,1-2,7-14H2/t17-/m0/s1
InChIKeyGGTLQBYUXCMPJF-KRWDZBQOSA-N
MW291.41 g/mol
LogP3.51
Rot. Bonds4

About (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine

(3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine (PubChem CID 141046163) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine
PubChem CID141046163
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name(3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine
SMILESFc1ccc(C[C@@H]2CCCN(CC3CCOCC3)C2)cc1
InChIInChI=1S/C18H26FNO/c19-18-5-3-15(4-6-18)12-17-2-1-9-20(14-17)13-16-7-10-21-11-8-16/h3-6,16-17H,1-2,7-14H2/t17-/m0/s1
InChIKeyGGTLQBYUXCMPJF-KRWDZBQOSA-N
XLogP3.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-Diphenylethyl)morpholine
CID 240345
1-(3-(3-Phenylpropoxy)propyl)piperidine
CID 9903343
4-Propyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563683
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563684
4-Benzyl-1-[3-phenylpropoxy)propyl]piperidine
CID 44563685
4-(4-Fluoro-benzyl)-1-(4-phenyl-butyl)-piperidine
CID 10404071
US11214540, Example 1
CID 155139233
1-Phenethyl-4-[2-(3-phenyl-prop-2-ynyloxy)-ethyl]-piperidine
CID 15229597
1-Phenethyl-4-((E)-3-phenyl-allyloxymethyl)-piperidine
CID 19022852
4-((E)-3-Phenyl-allyloxymethyl)-1-(3-phenyl-propyl)-piperidine
CID 44315830
US11214540, Example 21
CID 142475107
US11214540, Example 9
CID 142475187

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine?
The IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine (CID 141046163) is (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine.
What is the SMILES notation for (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine?
The canonical SMILES for (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine is Fc1ccc(C[C@@H]2CCCN(CC3CCOCC3)C2)cc1.
What is the InChIKey of (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine?
The InChIKey is GGTLQBYUXCMPJF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26FNO/c19-18-5-3-15(4-6-18)12-17-2-1-9-20(14-17)13-16-7-10-21-11-8-16/h3-6,16-17H,1-2,7-14H2/t17-/m0/s1.
What are the key properties of (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine?
(3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine has a molecular weight of 291.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-fluorophenyl)methyl]-1-(oxan-4-ylmethyl)piperidine is sourced from PubChem (CID 141046163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).