4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine

C16H24FN — CID 117377676

IUPAC4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
SMILESCc1ccc(C(C)(C)F)cc1CC1CCNCC1
InChIInChI=1S/C16H24FN/c1-12-4-5-15(16(2,3)17)11-14(12)10-13-6-8-18-9-7-13/h4-5,11,13,18H,6-10H2,1-3H3
InChIKeyBCXMAOIWEVFIGH-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.74
Rot. Bonds3

About 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine

4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine (PubChem CID 117377676) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
PubChem CID117377676
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
SMILESCc1ccc(C(C)(C)F)cc1CC1CCNCC1
InChIInChI=1S/C16H24FN/c1-12-4-5-15(16(2,3)17)11-14(12)10-13-6-8-18-9-7-13/h4-5,11,13,18H,6-10H2,1-3H3
InChIKeyBCXMAOIWEVFIGH-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
CID 116840354
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
CID 84658586
2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 79708126
4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 143233960
3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
CID 84788099
4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054202
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine?
The IUPAC name of 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine (CID 117377676) is 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine.
What is the SMILES notation for 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine?
The canonical SMILES for 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine is Cc1ccc(C(C)(C)F)cc1CC1CCNCC1.
What is the InChIKey of 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine?
The InChIKey is BCXMAOIWEVFIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-4-5-15(16(2,3)17)11-14(12)10-13-6-8-18-9-7-13/h4-5,11,13,18H,6-10H2,1-3H3.
What are the key properties of 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine?
4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine has a molecular weight of 249.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine is sourced from PubChem (CID 117377676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).