1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine

C19H36FN3O — CID 174253360

IUPAC1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
SMILESCCN1CCN(CC2(F)CCC(OC3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C19H36FN3O/c1-3-22-12-14-23(15-13-22)16-19(20)8-4-17(5-9-19)24-18-6-10-21(2)11-7-18/h17-18H,3-16H2,1-2H3
InChIKeyVHRWWTMJACVGGM-UHFFFAOYSA-N
MW341.52 g/mol
LogP2.39
Rot. Bonds5

About 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine

1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine (PubChem CID 174253360) has the molecular formula C19H36FN3O and a molecular weight of 341.52 g/mol. Its IUPAC name is 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
PubChem CID174253360
Molecular FormulaC19H36FN3O
Molecular Weight341.52 g/mol
Exact Mass341.28
IUPAC Name1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
SMILESCCN1CCN(CC2(F)CCC(OC3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C19H36FN3O/c1-3-22-12-14-23(15-13-22)16-19(20)8-4-17(5-9-19)24-18-6-10-21(2)11-7-18/h17-18H,3-16H2,1-2H3
InChIKeyVHRWWTMJACVGGM-UHFFFAOYSA-N
XLogP2.39
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-Fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine
CID 171598511
1-[(1-Ethylpiperidin-3-yl)methyl]-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 171641522
1-Butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine
CID 171641604
1-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 174253101
1-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 178584355
1-[[1-(2,2-Dimethylpropyl)piperidin-3-yl]methyl]-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 178584410
1-(2,2-Dimethylpropyl)-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 178584425
1-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 178584648
[4-[[1-Fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazin-1-yl]methanamine
CID 171641327
1-Tert-butyl-4-[(4-propan-2-yloxycyclohexyl)methyl]piperazine
CID 153484472
1-[[4-(4-Methylpentan-2-yloxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine
CID 171598403
1-[[4-(3-Methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperazine
CID 171598568

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine (CID 174253360) is 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine is CCN1CCN(CC2(F)CCC(OC3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine?
The InChIKey is VHRWWTMJACVGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FN3O/c1-3-22-12-14-23(15-13-22)16-19(20)8-4-17(5-9-19)24-18-6-10-21(2)11-7-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine?
1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine has a molecular weight of 341.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine is sourced from PubChem (CID 174253360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).