1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine

C17H26FN — CID 169075487

IUPAC1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine
SMILESCC(C)(C)Cc1ccc(CN2CCCCC2)cc1F
InChIInChI=1S/C17H26FN/c1-17(2,3)12-15-8-7-14(11-16(15)18)13-19-9-5-4-6-10-19/h7-8,11H,4-6,9-10,12-13H2,1-3H3
InChIKeyGCRKFZSLIALBKN-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.40
Rot. Bonds3

About 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine

1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine (PubChem CID 169075487) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine
PubChem CID169075487
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine
SMILESCC(C)(C)Cc1ccc(CN2CCCCC2)cc1F
InChIInChI=1S/C17H26FN/c1-17(2,3)12-15-8-7-14(11-16(15)18)13-19-9-5-4-6-10-19/h7-8,11H,4-6,9-10,12-13H2,1-3H3
InChIKeyGCRKFZSLIALBKN-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-bis(2,2-dimethylpropyl)-4-(piperidin-1-ylmethyl)phenol
CID 21092695
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
1-[(3,4-diethylphenyl)methyl]pyrrolidine
CID 170618261
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
CID 147437638
3-fluoro-4-(pyrrolidin-1-ylmethyl)benzenethiol
CID 91656590
1-[[2-fluoro-4-(pyrrolidin-2-ylmethyl)phenyl]methyl]piperidine
CID 117443093
1-[[2-fluoro-4-(isocyanatomethyl)phenyl]methyl]piperidine
CID 117373719
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
tert-butyl 4-[[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 123431463
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine?
The IUPAC name of 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine (CID 169075487) is 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine is CC(C)(C)Cc1ccc(CN2CCCCC2)cc1F.
What is the InChIKey of 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine?
The InChIKey is GCRKFZSLIALBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-17(2,3)12-15-8-7-14(11-16(15)18)13-19-9-5-4-6-10-19/h7-8,11H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine?
1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine has a molecular weight of 263.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine is sourced from PubChem (CID 169075487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).