1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine

C26H35FN2O — CID 23111415

IUPAC1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine
SMILESFc1cc(N2CCN(CCCC3CCCCC3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H35FN2O/c27-25-20-24(13-14-26(25)30-21-23-10-5-2-6-11-23)29-18-16-28(17-19-29)15-7-12-22-8-3-1-4-9-22/h2,5-6,10-11,13-14,20,22H,1,3-4,7-9,12,15-19,21H2
InChIKeyKIFOZAYYXLYCLJ-UHFFFAOYSA-N
MW410.58 g/mol
LogP5.89
Rot. Bonds8

About 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine

1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine (PubChem CID 23111415) has the molecular formula C26H35FN2O and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine
PubChem CID23111415
Molecular FormulaC26H35FN2O
Molecular Weight410.58 g/mol
Exact Mass410.27
IUPAC Name1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine
SMILESFc1cc(N2CCN(CCCC3CCCCC3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H35FN2O/c27-25-20-24(13-14-26(25)30-21-23-10-5-2-6-11-23)29-18-16-28(17-19-29)15-7-12-22-8-3-1-4-9-22/h2,5-6,10-11,13-14,20,22H,1,3-4,7-9,12,15-19,21H2
InChIKeyKIFOZAYYXLYCLJ-UHFFFAOYSA-N
XLogP5.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine?
The IUPAC name of 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine (CID 23111415) is 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine?
The canonical SMILES for 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine is Fc1cc(N2CCN(CCCC3CCCCC3)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine?
The InChIKey is KIFOZAYYXLYCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O/c27-25-20-24(13-14-26(25)30-21-23-10-5-2-6-11-23)29-18-16-28(17-19-29)15-7-12-22-8-3-1-4-9-22/h2,5-6,10-11,13-14,20,22H,1,3-4,7-9,12,15-19,21H2.
What are the key properties of 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine?
1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine has a molecular weight of 410.58 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-4-(3-fluoro-4-phenylmethoxyphenyl)piperazine is sourced from PubChem (CID 23111415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).