1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride

C25H33ClFNO2 — CID 2870960

IUPAC1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
SMILESCl.OC(c1ccc(F)cc1)(C1CCCCC1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C25H32FNO2.ClH/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27;/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2;1H
InChIKeyPRAGQNDHRXZZJA-UHFFFAOYSA-N
MW434.00 g/mol
LogP5.13
Rot. Bonds6

About 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride

1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride (PubChem CID 2870960) has the molecular formula C25H33ClFNO2 and a molecular weight of 434.00 g/mol. Its IUPAC name is 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
PubChem CID2870960
Molecular FormulaC25H33ClFNO2
Molecular Weight434.00 g/mol
Exact Mass433.22
IUPAC Name1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
SMILESCl.OC(c1ccc(F)cc1)(C1CCCCC1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C25H32FNO2.ClH/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27;/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2;1H
InChIKeyPRAGQNDHRXZZJA-UHFFFAOYSA-N
XLogP5.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.00
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-phenyl-propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride (CID 2870960) is 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride is Cl.OC(c1ccc(F)cc1)(C1CCCCC1)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The InChIKey is PRAGQNDHRXZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO2.ClH/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27;/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2;1H.
What are the key properties of 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(4-fluorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 2870960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).