3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride

C26H37Cl2FN2O — CID 174466591

IUPAC3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride
SMILESCC1C(N(C)C)C(O)(c2ccccc2F)CCN1C1(c2ccccc2)CCCCC1.Cl.Cl
InChIInChI=1S/C26H35FN2O.2ClH/c1-20-24(28(2)3)26(30,22-14-8-9-15-23(22)27)18-19-29(20)25(16-10-5-11-17-25)21-12-6-4-7-13-21;;/h4,6-9,12-15,20,24,30H,5,10-11,16-19H2,1-3H3;2*1H
InChIKeyINXSQROKANBYIF-UHFFFAOYSA-N
MW483.50 g/mol
LogP5.74
Rot. Bonds4

About 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride

3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride (PubChem CID 174466591) has the molecular formula C26H37Cl2FN2O and a molecular weight of 483.50 g/mol. Its IUPAC name is 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride
PubChem CID174466591
Molecular FormulaC26H37Cl2FN2O
Molecular Weight483.50 g/mol
Exact Mass482.23
IUPAC Name3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride
SMILESCC1C(N(C)C)C(O)(c2ccccc2F)CCN1C1(c2ccccc2)CCCCC1.Cl.Cl
InChIInChI=1S/C26H35FN2O.2ClH/c1-20-24(28(2)3)26(30,22-14-8-9-15-23(22)27)18-19-29(20)25(16-10-5-11-17-25)21-12-6-4-7-13-21;;/h4,6-9,12-15,20,24,30H,5,10-11,16-19H2,1-3H3;2*1H
InChIKeyINXSQROKANBYIF-UHFFFAOYSA-N
XLogP5.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride?
The IUPAC name of 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride (CID 174466591) is 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride is CC1C(N(C)C)C(O)(c2ccccc2F)CCN1C1(c2ccccc2)CCCCC1.Cl.Cl.
What is the InChIKey of 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride?
The InChIKey is INXSQROKANBYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O.2ClH/c1-20-24(28(2)3)26(30,22-14-8-9-15-23(22)27)18-19-29(20)25(16-10-5-11-17-25)21-12-6-4-7-13-21;;/h4,6-9,12-15,20,24,30H,5,10-11,16-19H2,1-3H3;2*1H.
What are the key properties of 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride?
3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride has a molecular weight of 483.50 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 174466591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).