4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide

C26H36N2O2 — CID 22729922

IUPAC4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide
SMILESCCCC(C)CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(O)c2)CC1
InChIInChI=1S/C26H36N2O2/c1-5-7-20(2)19-28-16-14-26(15-17-28,23-8-6-9-24(29)18-23)22-12-10-21(11-13-22)25(30)27(3)4/h6,8-13,18,20,29H,5,7,14-17,19H2,1-4H3
InChIKeyVVLJTJUIMGZRJC-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.91
Rot. Bonds7

About 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide

4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 22729922) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide
PubChem CID22729922
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide
SMILESCCCC(C)CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(O)c2)CC1
InChIInChI=1S/C26H36N2O2/c1-5-7-20(2)19-28-16-14-26(15-17-28,23-8-6-9-24(29)18-23)22-12-10-21(11-13-22)25(30)27(3)4/h6,8-13,18,20,29H,5,7,14-17,19H2,1-4H3
InChIKeyVVLJTJUIMGZRJC-UHFFFAOYSA-N
XLogP4.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide (CID 22729922) is 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide is CCCC(C)CN1CCC(c2ccc(C(=O)N(C)C)cc2)(c2cccc(O)c2)CC1.
What is the InChIKey of 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is VVLJTJUIMGZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-5-7-20(2)19-28-16-14-26(15-17-28,23-8-6-9-24(29)18-23)22-12-10-21(11-13-22)25(30)27(3)4/h6,8-13,18,20,29H,5,7,14-17,19H2,1-4H3.
What are the key properties of 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide?
4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 408.59 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 22729922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).