1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine

C14H20FNO — CID 123745923

IUPAC1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine
SMILESCOc1cccc(N2C(C)CCCC2C)c1F
InChIInChI=1S/C14H20FNO/c1-10-6-4-7-11(2)16(10)12-8-5-9-13(17-3)14(12)15/h5,8-11H,4,6-7H2,1-3H3
InChIKeyQRFOHPXJAVPBNS-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.60
Rot. Bonds2

About 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine

1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine (PubChem CID 123745923) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine
PubChem CID123745923
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine
SMILESCOc1cccc(N2C(C)CCCC2C)c1F
InChIInChI=1S/C14H20FNO/c1-10-6-4-7-11(2)16(10)12-8-5-9-13(17-3)14(12)15/h5,8-11H,4,6-7H2,1-3H3
InChIKeyQRFOHPXJAVPBNS-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)piperazine
CID 81430
N,N-Diethyl-m-phenetidine
CID 74625
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
CID 20136253
1,6-Bis(4-(3-methoxyphenyl)piperazin-1-yl)hexane
CID 11568942
1-(4-Methoxyphenyl)-4-propylpiperazine
CID 12854846
N-phenyl-m-anisidine
CID 7544
3-(3-Methoxyanilino)propanenitrile
CID 2302549
N-ethyl-3-methoxyaniline
CID 586008
3-Methoxy-N,N-dimethylbenzenamine
CID 139977
N,N-Diethyl-m-anisidine
CID 66697
1-(4-Ethylcyclohexyl)-4-(3-methoxyphenyl)piperazine
CID 3736434
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 861149

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine (CID 123745923) is 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine is COc1cccc(N2C(C)CCCC2C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine?
The InChIKey is QRFOHPXJAVPBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-6-4-7-11(2)16(10)12-8-5-9-13(17-3)14(12)15/h5,8-11H,4,6-7H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine?
1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine has a molecular weight of 237.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 123745923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).