3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine

C16H22FNO — CID 114523641

IUPAC3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cccc(OC2CC2)c1)C1CCCNC1
InChIInChI=1S/C16H22FNO/c1-16(17,13-5-3-9-18-11-13)12-4-2-6-15(10-12)19-14-7-8-14/h2,4,6,10,13-14,18H,3,5,7-9,11H2,1H3
InChIKeyGTKCQIBSRDPRBJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.41
Rot. Bonds4

About 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine

3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine (PubChem CID 114523641) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
PubChem CID114523641
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cccc(OC2CC2)c1)C1CCCNC1
InChIInChI=1S/C16H22FNO/c1-16(17,13-5-3-9-18-11-13)12-4-2-6-15(10-12)19-14-7-8-14/h2,4,6,10,13-14,18H,3,5,7-9,11H2,1H3
InChIKeyGTKCQIBSRDPRBJ-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
CID 115042136
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine
CID 70348366
3-[1-fluoro-1-(4-propan-2-ylphenyl)ethyl]piperidine
CID 112564886
[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
CID 115033504
3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
CID 112564864
3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
CID 112564829
3-[1-(1-benzofuran-2-yl)-1-fluoroethyl]piperidine
CID 114736041
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
1-(3-cyclopropyloxyphenyl)-1-phenylethanol
CID 114520749

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine (CID 114523641) is 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine is CC(F)(c1cccc(OC2CC2)c1)C1CCCNC1.
What is the InChIKey of 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine?
The InChIKey is GTKCQIBSRDPRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-16(17,13-5-3-9-18-11-13)12-4-2-6-15(10-12)19-14-7-8-14/h2,4,6,10,13-14,18H,3,5,7-9,11H2,1H3.
What are the key properties of 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine?
3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine has a molecular weight of 263.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclopropyloxyphenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 114523641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).