3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol

C26H36N2O2 — CID 174454202

IUPAC3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol
SMILESCC1C(N(C)C)C(O)(c2cccc(O)c2)CCN1C1(c2ccccc2)CCCCC1
InChIInChI=1S/C26H36N2O2/c1-20-24(27(2)3)26(30,22-13-10-14-23(29)19-22)17-18-28(20)25(15-8-5-9-16-25)21-11-6-4-7-12-21/h4,6-7,10-14,19-20,24,29-30H,5,8-9,15-18H2,1-3H3
InChIKeyMJKCTKJTZXVGDG-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.46
Rot. Bonds4

About 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol

3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol (PubChem CID 174454202) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol.

Molecular Properties

Compound Name3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol
PubChem CID174454202
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol
SMILESCC1C(N(C)C)C(O)(c2cccc(O)c2)CCN1C1(c2ccccc2)CCCCC1
InChIInChI=1S/C26H36N2O2/c1-20-24(27(2)3)26(30,22-13-10-14-23(29)19-22)17-18-28(20)25(15-8-5-9-16-25)21-11-6-4-7-12-21/h4,6-7,10-14,19-20,24,29-30H,5,8-9,15-18H2,1-3H3
InChIKeyMJKCTKJTZXVGDG-UHFFFAOYSA-N
XLogP4.46
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol?
The IUPAC name of 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol (CID 174454202) is 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol.
What is the SMILES notation for 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol?
The canonical SMILES for 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol is CC1C(N(C)C)C(O)(c2cccc(O)c2)CCN1C1(c2ccccc2)CCCCC1.
What is the InChIKey of 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol?
The InChIKey is MJKCTKJTZXVGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-20-24(27(2)3)26(30,22-13-10-14-23(29)19-22)17-18-28(20)25(15-8-5-9-16-25)21-11-6-4-7-12-21/h4,6-7,10-14,19-20,24,29-30H,5,8-9,15-18H2,1-3H3.
What are the key properties of 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol?
3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol has a molecular weight of 408.59 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol is sourced from PubChem (CID 174454202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).