1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine

C20H38FN3O — CID 171641604

IUPAC1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine
SMILESCCCCN1CCN(CC2(F)CCC(OC3CCNCC3)CC2)CC1
InChIInChI=1S/C20H38FN3O/c1-2-3-12-23-13-15-24(16-14-23)17-20(21)8-4-18(5-9-20)25-19-6-10-22-11-7-19/h18-19,22H,2-17H2,1H3
InChIKeyVOGDTSFXSDUTBM-UHFFFAOYSA-N
MW355.54 g/mol
LogP2.82
Rot. Bonds7

About 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine

1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine (PubChem CID 171641604) has the molecular formula C20H38FN3O and a molecular weight of 355.54 g/mol. Its IUPAC name is 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine
PubChem CID171641604
Molecular FormulaC20H38FN3O
Molecular Weight355.54 g/mol
Exact Mass355.30
IUPAC Name1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine
SMILESCCCCN1CCN(CC2(F)CCC(OC3CCNCC3)CC2)CC1
InChIInChI=1S/C20H38FN3O/c1-2-3-12-23-13-15-24(16-14-23)17-20(21)8-4-18(5-9-20)25-19-6-10-22-11-7-19/h18-19,22H,2-17H2,1H3
InChIKeyVOGDTSFXSDUTBM-UHFFFAOYSA-N
XLogP2.82
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine?
The IUPAC name of 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine (CID 171641604) is 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine?
The canonical SMILES for 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine is CCCCN1CCN(CC2(F)CCC(OC3CCNCC3)CC2)CC1.
What is the InChIKey of 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine?
The InChIKey is VOGDTSFXSDUTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN3O/c1-2-3-12-23-13-15-24(16-14-23)17-20(21)8-4-18(5-9-20)25-19-6-10-22-11-7-19/h18-19,22H,2-17H2,1H3.
What are the key properties of 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine?
1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine has a molecular weight of 355.54 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(1-fluoro-4-piperidin-4-yloxycyclohexyl)methyl]piperazine is sourced from PubChem (CID 171641604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).