2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride

C23H30Cl2FNO2 — CID 24761501

IUPAC2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
SMILESCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H29ClFNO2.ClH/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18;/h4-11,22,27H,2-3,12-17H2,1H3;1H
InChIKeyNILANPOAJUIAKY-UHFFFAOYSA-N
MW442.40 g/mol
LogP5.39
Rot. Bonds8

About 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride

2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride (PubChem CID 24761501) has the molecular formula C23H30Cl2FNO2 and a molecular weight of 442.40 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
PubChem CID24761501
Molecular FormulaC23H30Cl2FNO2
Molecular Weight442.40 g/mol
Exact Mass441.16
IUPAC Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
SMILESCCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H29ClFNO2.ClH/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18;/h4-11,22,27H,2-3,12-17H2,1H3;1H
InChIKeyNILANPOAJUIAKY-UHFFFAOYSA-N
XLogP5.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
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CID 9798372
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
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2-(4-Chloro-phenyl)-5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-pentanenitrile
CID 10573219
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(2-fluoro-phenyl)-pentanenitrile
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CID 10647579

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride (CID 24761501) is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride is CCCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride?
The InChIKey is NILANPOAJUIAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFNO2.ClH/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18;/h4-11,22,27H,2-3,12-17H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride?
2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride has a molecular weight of 442.40 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride is sourced from PubChem (CID 24761501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).