1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine

C14H20FN — CID 165121256

IUPAC1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine
SMILESCc1ccc(F)c(N2CCCC(C)(C)C2)c1
InChIInChI=1S/C14H20FN/c1-11-5-6-12(15)13(9-11)16-8-4-7-14(2,3)10-16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeySBYLOOUSILSVDC-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.76
Rot. Bonds1

About 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine

1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine (PubChem CID 165121256) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine
PubChem CID165121256
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine
SMILESCc1ccc(F)c(N2CCCC(C)(C)C2)c1
InChIInChI=1S/C14H20FN/c1-11-5-6-12(15)13(9-11)16-8-4-7-14(2,3)10-16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeySBYLOOUSILSVDC-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine (CID 165121256) is 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine is Cc1ccc(F)c(N2CCCC(C)(C)C2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine?
The InChIKey is SBYLOOUSILSVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-5-6-12(15)13(9-11)16-8-4-7-14(2,3)10-16/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine?
1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine has a molecular weight of 221.32 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperidine is sourced from PubChem (CID 165121256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).