2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine

C14H19ClFNO — CID 117432392

IUPAC2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
SMILESCOc1c(Cl)cc(F)c(C)c1CC1CCCCN1
InChIInChI=1S/C14H19ClFNO/c1-9-11(7-10-5-3-4-6-17-10)14(18-2)12(15)8-13(9)16/h8,10,17H,3-7H2,1-2H3
InChIKeyOVOPZMOZFHNCKV-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.48
Rot. Bonds3

About 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine

2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine (PubChem CID 117432392) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
PubChem CID117432392
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
SMILESCOc1c(Cl)cc(F)c(C)c1CC1CCCCN1
InChIInChI=1S/C14H19ClFNO/c1-9-11(7-10-5-3-4-6-17-10)14(18-2)12(15)8-13(9)16/h8,10,17H,3-7H2,1-2H3
InChIKeyOVOPZMOZFHNCKV-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387667
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337
2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-[(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methyl]pyrrolidine
CID 117479457
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol
CID 117409121

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine?
The IUPAC name of 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine (CID 117432392) is 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine is COc1c(Cl)cc(F)c(C)c1CC1CCCCN1.
What is the InChIKey of 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine?
The InChIKey is OVOPZMOZFHNCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-9-11(7-10-5-3-4-6-17-10)14(18-2)12(15)8-13(9)16/h8,10,17H,3-7H2,1-2H3.
What are the key properties of 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine?
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine has a molecular weight of 271.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine is sourced from PubChem (CID 117432392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).