1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine

C20H38FNO — CID 171598511

IUPAC1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine
SMILESCC(C)CCOC1CCC(F)(CN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C20H38FNO/c1-16(2)9-14-23-19-5-10-20(21,11-6-19)15-22-12-7-18(8-13-22)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyJDVLIGPWUJRHBX-UHFFFAOYSA-N
MW327.53 g/mol
LogP5.07
Rot. Bonds7

About 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine

1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine (PubChem CID 171598511) has the molecular formula C20H38FNO and a molecular weight of 327.53 g/mol. Its IUPAC name is 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine
PubChem CID171598511
Molecular FormulaC20H38FNO
Molecular Weight327.53 g/mol
Exact Mass327.29
IUPAC Name1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine
SMILESCC(C)CCOC1CCC(F)(CN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C20H38FNO/c1-16(2)9-14-23-19-5-10-20(21,11-6-19)15-22-12-7-18(8-13-22)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyJDVLIGPWUJRHBX-UHFFFAOYSA-N
XLogP5.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.53
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-methyl-4-[[(4R)-4-methyloxan-2-yl]methyl]piperidine
CID 137411578
1-Ethyl-4-[[1-fluoro-4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 174253360
1-[5-(Cyclohexylmethoxy)pentyl]piperidine
CID 54463999
4-[1-(4-Tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine
CID 130219147
1-Tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine
CID 134335615
4-[1-(4-Tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
CID 139501604
1-(Cyclohexylmethyl)-3-(ethoxymethyl)piperidine;ethane
CID 143571318
1-Tert-butyl-4-[(4-propan-2-yloxycyclohexyl)methyl]piperazine
CID 153484472
4-(2-Methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 157932636
(2S,6R)-2,4,6-trimethyloxane;(3S,5R)-1,3,5-trimethylpiperidine
CID 158823393
4-[4-(3-Methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine
CID 160745640
4-Propan-2-yl-1-(6-propan-2-yloxyhexyl)piperidine
CID 163235330

Frequently Asked Questions

What is the IUPAC name of 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine (CID 171598511) is 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine is CC(C)CCOC1CCC(F)(CN2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine?
The InChIKey is JDVLIGPWUJRHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FNO/c1-16(2)9-14-23-19-5-10-20(21,11-6-19)15-22-12-7-18(8-13-22)17(3)4/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine?
1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine has a molecular weight of 327.53 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-fluoro-4-(3-methylbutoxy)cyclohexyl]methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 171598511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).