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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Related Compounds

4-[4-(3-cyclohexylpropyl)piperazin-1-yl]-2-fluorophenol;hydrochloride
CID 23111414
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
CID 130451089
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine
CID 3060439
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
CID 117498798
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine;hydron;dichloride
CID 50987103
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine
CID 140993259
ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
CID 142959688
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
4-(4-butylpiperidin-1-yl)-1-(2-phenylmethoxyphenyl)butan-1-one
CID 18626374
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 2961785

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).