(3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine

C18H24FN3O — CID 171358044

IUPAC(3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
SMILESCCc1nccn1[C@H]1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN3O/c1-2-18-20-9-11-22(18)16-4-3-10-21(14-16)12-13-23-17-7-5-15(19)6-8-17/h5-9,11,16H,2-4,10,12-14H2,1H3/t16-/m0/s1
InChIKeyDHFMMSAOXFGLPY-INIZCTEOSA-N
MW317.41 g/mol
LogP3.30
Rot. Bonds6

About (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine

(3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine (PubChem CID 171358044) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
PubChem CID171358044
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name(3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
SMILESCCc1nccn1[C@H]1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN3O/c1-2-18-20-9-11-22(18)16-4-3-10-21(14-16)12-13-23-17-7-5-15(19)6-8-17/h5-9,11,16H,2-4,10,12-14H2,1H3/t16-/m0/s1
InChIKeyDHFMMSAOXFGLPY-INIZCTEOSA-N
XLogP3.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine?
The IUPAC name of (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine (CID 171358044) is (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine.
What is the SMILES notation for (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine?
The canonical SMILES for (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine is CCc1nccn1[C@H]1CCCN(CCOc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine?
The InChIKey is DHFMMSAOXFGLPY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-2-18-20-9-11-22(18)16-4-3-10-21(14-16)12-13-23-17-7-5-15(19)6-8-17/h5-9,11,16H,2-4,10,12-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine?
(3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine has a molecular weight of 317.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 171358044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).