4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine

C15H22FNO2 — CID 117421921

IUPAC4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
SMILESCOc1cc(C2CCNCC2)cc(C(C)F)c1OC
InChIInChI=1S/C15H22FNO2/c1-10(16)13-8-12(11-4-6-17-7-5-11)9-14(18-2)15(13)19-3/h8-11,17H,4-7H2,1-3H3
InChIKeyFSIGAUMQHMTHML-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.20
Rot. Bonds4

About 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine

4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine (PubChem CID 117421921) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine.

Molecular Properties

Compound Name4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
PubChem CID117421921
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
SMILESCOc1cc(C2CCNCC2)cc(C(C)F)c1OC
InChIInChI=1S/C15H22FNO2/c1-10(16)13-8-12(11-4-6-17-7-5-11)9-14(18-2)15(13)19-3/h8-11,17H,4-7H2,1-3H3
InChIKeyFSIGAUMQHMTHML-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-piperidin-4-ylaniline
CID 117345445
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
CID 117430883
3-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 117430881
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
CID 117480594
3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
CID 117476790
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine
CID 117448460
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine?
The IUPAC name of 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine (CID 117421921) is 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine.
What is the SMILES notation for 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine?
The canonical SMILES for 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine is COc1cc(C2CCNCC2)cc(C(C)F)c1OC.
What is the InChIKey of 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine?
The InChIKey is FSIGAUMQHMTHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(16)13-8-12(11-4-6-17-7-5-11)9-14(18-2)15(13)19-3/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine?
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine has a molecular weight of 267.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine is sourced from PubChem (CID 117421921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).