4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine

C15H22FN — CID 117343574

IUPAC4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cc(CC2CCNCC2)ccc1F
InChIInChI=1S/C15H22FN/c1-11(2)14-10-13(3-4-15(14)16)9-12-5-7-17-8-6-12/h3-4,10-12,17H,5-9H2,1-2H3
InChIKeyKFBCJDZALQKRBP-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.49
Rot. Bonds3

About 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine

4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine (PubChem CID 117343574) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
PubChem CID117343574
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cc(CC2CCNCC2)ccc1F
InChIInChI=1S/C15H22FN/c1-11(2)14-10-13(3-4-15(14)16)9-12-5-7-17-8-6-12/h3-4,10-12,17H,5-9H2,1-2H3
InChIKeyKFBCJDZALQKRBP-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117499962
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
3-[(3-bromo-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 84812337
4-(aminomethyl)-6-propan-2-ylbenzene-1,3-diol;4-(piperidin-4-ylmethyl)aniline
CID 144915464
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 117456610
4-[[4-(difluoromethyl)phenyl]methyl]piperidine
CID 84689877
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine
CID 117418071
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine (CID 117343574) is 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine is CC(C)c1cc(CC2CCNCC2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is KFBCJDZALQKRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)14-10-13(3-4-15(14)16)9-12-5-7-17-8-6-12/h3-4,10-12,17H,5-9H2,1-2H3.
What are the key properties of 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine?
4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 235.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117343574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).