4-[fluoro-(3-propylphenyl)methyl]piperidine

C15H22FN — CID 116546553

IUPAC4-[fluoro-(3-propylphenyl)methyl]piperidine
SMILESCCCc1cccc(C(F)C2CCNCC2)c1
InChIInChI=1S/C15H22FN/c1-2-4-12-5-3-6-14(11-12)15(16)13-7-9-17-10-8-13/h3,5-6,11,13,15,17H,2,4,7-10H2,1H3
InChIKeyDJTNDVNSNNQHQA-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.65
Rot. Bonds4

About 4-[fluoro-(3-propylphenyl)methyl]piperidine

4-[fluoro-(3-propylphenyl)methyl]piperidine (PubChem CID 116546553) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[fluoro-(3-propylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[fluoro-(3-propylphenyl)methyl]piperidine
PubChem CID116546553
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-[fluoro-(3-propylphenyl)methyl]piperidine
SMILESCCCc1cccc(C(F)C2CCNCC2)c1
InChIInChI=1S/C15H22FN/c1-2-4-12-5-3-6-14(11-12)15(16)13-7-9-17-10-8-13/h3,5-6,11,13,15,17H,2,4,7-10H2,1H3
InChIKeyDJTNDVNSNNQHQA-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-ethoxyphenyl)-fluoromethyl]piperidine
CID 112563653
2-piperidin-4-yl-2-(4-propylphenyl)ethanol
CID 116825146
(3-propylphenyl)-pyrrolidin-2-ylmethanol
CID 106640142
cyclohex-3-en-1-yl-(3-propylphenyl)methanol
CID 116542536
4-[fluoro(phenyl)methyl]azepane
CID 84722518
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
CID 112563633
(3-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105188014
[cyclopentyl-(3-propylphenyl)methyl]hydrazine
CID 105204459
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
1-(3-propylphenyl)ethanamine
CID 116543909

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro-(3-propylphenyl)methyl]piperidine?
The IUPAC name of 4-[fluoro-(3-propylphenyl)methyl]piperidine (CID 116546553) is 4-[fluoro-(3-propylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[fluoro-(3-propylphenyl)methyl]piperidine?
The canonical SMILES for 4-[fluoro-(3-propylphenyl)methyl]piperidine is CCCc1cccc(C(F)C2CCNCC2)c1.
What is the InChIKey of 4-[fluoro-(3-propylphenyl)methyl]piperidine?
The InChIKey is DJTNDVNSNNQHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-2-4-12-5-3-6-14(11-12)15(16)13-7-9-17-10-8-13/h3,5-6,11,13,15,17H,2,4,7-10H2,1H3.
What are the key properties of 4-[fluoro-(3-propylphenyl)methyl]piperidine?
4-[fluoro-(3-propylphenyl)methyl]piperidine has a molecular weight of 235.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro-(3-propylphenyl)methyl]piperidine is sourced from PubChem (CID 116546553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).