4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine

C15H22FNO — CID 117382042

IUPAC4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
SMILESCCc1cc(F)c(OC)c(CC2CCNCC2)c1
InChIInChI=1S/C15H22FNO/c1-3-11-8-13(15(18-2)14(16)10-11)9-12-4-6-17-7-5-12/h8,10,12,17H,3-7,9H2,1-2H3
InChIKeyWAIRJMAVPMPHAS-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.94
Rot. Bonds4

About 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine

4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine (PubChem CID 117382042) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
PubChem CID117382042
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine
SMILESCCc1cc(F)c(OC)c(CC2CCNCC2)c1
InChIInChI=1S/C15H22FNO/c1-3-11-8-13(15(18-2)14(16)10-11)9-12-4-6-17-7-5-12/h8,10,12,17H,3-7,9H2,1-2H3
InChIKeyWAIRJMAVPMPHAS-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682
4-[(3-fluoro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine
CID 117418071
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
4-[(5-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386378
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
CID 117387726
3-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 84802170
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine (CID 117382042) is 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine is CCc1cc(F)c(OC)c(CC2CCNCC2)c1.
What is the InChIKey of 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine?
The InChIKey is WAIRJMAVPMPHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-11-8-13(15(18-2)14(16)10-11)9-12-4-6-17-7-5-12/h8,10,12,17H,3-7,9H2,1-2H3.
What are the key properties of 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine?
4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine has a molecular weight of 251.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117382042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).