(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine

C15H22FNO — CID 95727213

IUPAC(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-18-12-4-11-17-10-3-2-5-15(17)13-6-8-14(16)9-7-13/h6-9,15H,2-5,10-12H2,1H3/t15-/m0/s1
InChIKeyKFWMHQYBQSXJBC-HNNXBMFYSA-N
MW251.34 g/mol
LogP3.39
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine

(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine (PubChem CID 95727213) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
PubChem CID95727213
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-18-12-4-11-17-10-3-2-5-15(17)13-6-8-14(16)9-7-13/h6-9,15H,2-5,10-12H2,1H3/t15-/m0/s1
InChIKeyKFWMHQYBQSXJBC-HNNXBMFYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxypropyl)pyrrolidine
CID 94394264
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxypropyl)pyrrolidine
CID 94394263
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol
CID 95719841
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95894518
3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione
CID 95048524
1-butyl-2-phenylpiperidine
CID 10036306
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine (CID 95727213) is (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine is COCCCN1CCCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine?
The InChIKey is KFWMHQYBQSXJBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-18-12-4-11-17-10-3-2-5-15(17)13-6-8-14(16)9-7-13/h6-9,15H,2-5,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine?
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 95727213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).